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1330532-98-3 | Carbamic acid, N-(6-amino-4-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 1330532-98-3 Catalog No: AG0011KY MDL No:MFCD22690803
Product Description
Catalog Number:
AG0011KY
Chemical Name:
Carbamic acid, N-(6-amino-4-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1330532-98-3
Molecular Formula:
C9H14N4O2
Molecular Weight:
210.2331
MDL Number:
MFCD22690803
IUPAC Name:
tert-butyl N-(6-aminopyrimidin-4-yl)carbamate
InChI:
InChI=1S/C9H14N4O2/c1-9(2,3)15-8(14)13-7-4-6(10)11-5-12-7/h4-5H,1-3H3,(H3,10,11,12,13,14)
InChI Key:
PKHIIDRUXBVFCZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ncnc(c1)N)OC(C)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.237g/mol
Monoisotopic Mass:
210.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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