6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile

C14H14N4O — CID 115142987

IUPAC6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
SMILESCOc1ccc(CN(C)c2cc(C#N)ncn2)cc1
InChIInChI=1S/C14H14N4O/c1-18(14-7-12(8-15)16-10-17-14)9-11-3-5-13(19-2)6-4-11/h3-7,10H,9H2,1-2H3
InChIKeyOCECNAKIKXKWHK-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.99
Rot. Bonds4

About 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile

6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile (PubChem CID 115142987) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
PubChem CID115142987
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
SMILESCOc1ccc(CN(C)c2cc(C#N)ncn2)cc1
InChIInChI=1S/C14H14N4O/c1-18(14-7-12(8-15)16-10-17-14)9-11-3-5-13(19-2)6-4-11/h3-7,10H,9H2,1-2H3
InChIKeyOCECNAKIKXKWHK-UHFFFAOYSA-N
XLogP1.99
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 115143006
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80794827
6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
CID 115142866
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 139548865
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62294613
6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142996
N-[(4-aminophenyl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 66318304

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile (CID 115142987) is 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile is COc1ccc(CN(C)c2cc(C#N)ncn2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
The InChIKey is OCECNAKIKXKWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18(14-7-12(8-15)16-10-17-14)9-11-3-5-13(19-2)6-4-11/h3-7,10H,9H2,1-2H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).