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1416340-51-6 | "2-[5-amino-3-(furan-2-yl)-1H-pyrazol-1-yl]-6-methyl-3,4-dihydropyrimidin-4-one"
CAS No: 1416340-51-6 Catalog No: AG01FMKT MDL No:MFCD22627712
Product Description
Catalog Number:
AG01FMKT
Chemical Name:
"2-[5-amino-3-(furan-2-yl)-1H-pyrazol-1-yl]-6-methyl-3,4-dihydropyrimidin-4-one"
CAS Number:
1416340-51-6
Molecular Formula:
C12H11N5O2
Molecular Weight:
257.2480
MDL Number:
MFCD22627712
IUPAC Name:
2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H11N5O2/c1-7-5-11(18)15-12(14-7)17-10(13)6-8(16-17)9-3-2-4-19-9/h2-6H,13H2,1H3,(H,14,15,18)
InChI Key:
ZEMAMVNIYOFSCU-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]c(n1)n1nc(cc1N)c1ccco1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.253g/mol
Monoisotopic Mass:
257.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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