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101269-40-3 | Acetamide, N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2-[methyl(phenylmethyl)amino]-
CAS No: 101269-40-3 Catalog No: AG00043P MDL No:
Product Description
Catalog Number:
AG00043P
Chemical Name:
Acetamide, N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2-[methyl(phenylmethyl)amino]-
CAS Number:
101269-40-3
Molecular Formula:
C16H21N5O3
Molecular Weight:
331.3696
IUPAC Name:
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-phenylethylamino)acetamide
InChI:
InChI=1S/C16H21N5O3/c1-20-14(17)13(15(23)21(2)16(20)24)19-12(22)10-18-9-8-11-6-4-3-5-7-11/h3-7,18H,8-10,17H2,1-2H3,(H,19,22)
InChI Key:
QTQGTNXPALUVQB-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(N)n(C)c(=O)n(c1=O)C)CN(Cc1ccccc1)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
331.376g/mol
Monoisotopic Mass:
331.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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