4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile

C12H10N4O — CID 12862277

IUPAC4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1nc(N)c(C#N)c(-c2ccccc2)n1
InChIInChI=1S/C12H10N4O/c1-17-12-15-10(8-5-3-2-4-6-8)9(7-13)11(14)16-12/h2-6H,1H3,(H2,14,15,16)
InChIKeyUFJUMNIVIHSHJR-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.61
Rot. Bonds2

About 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile

4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile (PubChem CID 12862277) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
PubChem CID12862277
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1nc(N)c(C#N)c(-c2ccccc2)n1
InChIInChI=1S/C12H10N4O/c1-17-12-15-10(8-5-3-2-4-6-8)9(7-13)11(14)16-12/h2-6H,1H3,(H2,14,15,16)
InChIKeyUFJUMNIVIHSHJR-UHFFFAOYSA-N
XLogP1.61
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4,6-diphenylpyrimidin-5-amine
CID 624065
7-amino-2-methoxy-4-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 10683923
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine
CID 13413417
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
CID 1488060
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
5-amino-2-methyl-6-phenylpyridine-3,4-dicarbonitrile
CID 71323044
2-amino-6-methoxy-4-(3-phenylphenyl)pyridine-3,5-dicarbonitrile
CID 170319410
2-amino-6-phenyl-4-(2,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3353886
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile (CID 12862277) is 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile is COc1nc(N)c(C#N)c(-c2ccccc2)n1.
What is the InChIKey of 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is UFJUMNIVIHSHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-12-15-10(8-5-3-2-4-6-8)9(7-13)11(14)16-12/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile?
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 12862277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).