6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol

C22H18N4O2 — CID 139093032

IUPAC6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol
SMILESCO.N#Cc1c(-c2ccccc2)nc(=O)n(-c2cccc3ccccc23)c1N
InChIInChI=1S/C21H14N4O.CH4O/c22-13-17-19(15-8-2-1-3-9-15)24-21(26)25(20(17)23)18-12-6-10-14-7-4-5-11-16(14)18;1-2/h1-12H,23H2;2H,1H3
InChIKeyPXFVVVWPIZUVBT-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.12
Rot. Bonds2

About 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol

6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol (PubChem CID 139093032) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol.

Molecular Properties

Compound Name6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol
PubChem CID139093032
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol
SMILESCO.N#Cc1c(-c2ccccc2)nc(=O)n(-c2cccc3ccccc23)c1N
InChIInChI=1S/C21H14N4O.CH4O/c22-13-17-19(15-8-2-1-3-9-15)24-21(26)25(20(17)23)18-12-6-10-14-7-4-5-11-16(14)18;1-2/h1-12H,23H2;2H,1H3
InChIKeyPXFVVVWPIZUVBT-UHFFFAOYSA-N
XLogP3.12
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile
CID 73292300
6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile
CID 101421017
6-amino-1-(4-methylphenyl)-4-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 5297911
1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016
2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 139225060
3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile
CID 1285614
2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol
CID 137086249
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 14950768
4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 132540085
5-amino-2-methyl-6-phenylpyridine-3,4-dicarbonitrile
CID 71323044
1-[2-[2-(5-cyano-6-oxo-2,4-diphenylpyrimidin-1-yl)ethyldisulfanyl]ethyl]-6-oxo-2,4-diphenylpyrimidine-5-carbonitrile
CID 11467992
7-methyl-1-naphthalen-1-yl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-6-carbonitrile
CID 588654

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol?
The IUPAC name of 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol (CID 139093032) is 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol.
What is the SMILES notation for 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol?
The canonical SMILES for 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol is CO.N#Cc1c(-c2ccccc2)nc(=O)n(-c2cccc3ccccc23)c1N.
What is the InChIKey of 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol?
The InChIKey is PXFVVVWPIZUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O.CH4O/c22-13-17-19(15-8-2-1-3-9-15)24-21(26)25(20(17)23)18-12-6-10-14-7-4-5-11-16(14)18;1-2/h1-12H,23H2;2H,1H3.
What are the key properties of 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol?
6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol has a molecular weight of 370.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol is sourced from PubChem (CID 139093032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).