2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile

C14H14N4O — CID 39356939

IUPAC2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile
SMILESCOc1cccc(-c2cc(C#N)nc(N(C)C)n2)c1
InChIInChI=1S/C14H14N4O/c1-18(2)14-16-11(9-15)8-13(17-14)10-5-4-6-12(7-10)19-3/h4-8H,1-3H3
InChIKeyIZBKLIOVPWYBEL-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.09
Rot. Bonds3

About 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile

2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile (PubChem CID 39356939) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile
PubChem CID39356939
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile
SMILESCOc1cccc(-c2cc(C#N)nc(N(C)C)n2)c1
InChIInChI=1S/C14H14N4O/c1-18(2)14-16-11(9-15)8-13(17-14)10-5-4-6-12(7-10)19-3/h4-8H,1-3H3
InChIKeyIZBKLIOVPWYBEL-UHFFFAOYSA-N
XLogP2.09
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380253
2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile
CID 39346399
3-(3-methoxyphenyl)-1,2-oxazole-5-carbonitrile
CID 845058
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-(3-methoxyphenyl)benzonitrile
CID 4189594
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
2-(3-methoxyphenyl)-6-prop-1-ynylpyridine
CID 66878671
2-amino-6-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 4636256
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060343

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile (CID 39356939) is 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile is COc1cccc(-c2cc(C#N)nc(N(C)C)n2)c1.
What is the InChIKey of 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile?
The InChIKey is IZBKLIOVPWYBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18(2)14-16-11(9-15)8-13(17-14)10-5-4-6-12(7-10)19-3/h4-8H,1-3H3.
What are the key properties of 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile?
2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 39356939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).