4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile

C14H14N4O — CID 116782061

IUPAC4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile
SMILESCOC(c1ccccc1)c1nc(C)c(C#N)c(N)n1
InChIInChI=1S/C14H14N4O/c1-9-11(8-15)13(16)18-14(17-9)12(19-2)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,16,17,18)
InChIKeyZAHUNWRMXBPLRK-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.97
Rot. Bonds3

About 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile

4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile (PubChem CID 116782061) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile
PubChem CID116782061
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile
SMILESCOC(c1ccccc1)c1nc(C)c(C#N)c(N)n1
InChIInChI=1S/C14H14N4O/c1-9-11(8-15)13(16)18-14(17-9)12(19-2)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,16,17,18)
InChIKeyZAHUNWRMXBPLRK-UHFFFAOYSA-N
XLogP1.97
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 116776857
5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
CID 116776608
4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile
CID 116647027
5-amino-2-methyl-6-phenylpyridine-3,4-dicarbonitrile
CID 71323044
5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole
CID 102618231
4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116647095
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
CID 12862277
4-amino-2,6-dimethyl-5-phenylpyridine-3-carbonitrile
CID 69458683
N-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidin-4-amine
CID 116775791
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile (CID 116782061) is 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile is COC(c1ccccc1)c1nc(C)c(C#N)c(N)n1.
What is the InChIKey of 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile?
The InChIKey is ZAHUNWRMXBPLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-11(8-15)13(16)18-14(17-9)12(19-2)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,16,17,18).
What are the key properties of 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile?
4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 116782061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).