6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile

C13H12N4O — CID 115142865

IUPAC6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
SMILESCOc1ccccc1N(C)c1cc(C#N)ncn1
InChIInChI=1S/C13H12N4O/c1-17(11-5-3-4-6-12(11)18-2)13-7-10(8-14)15-9-16-13/h3-7,9H,1-2H3
InChIKeyBTZGDEMKSVYVMA-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.12
Rot. Bonds3

About 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile

6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile (PubChem CID 115142865) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
PubChem CID115142865
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
SMILESCOc1ccccc1N(C)c1cc(C#N)ncn1
InChIInChI=1S/C13H12N4O/c1-17(11-5-3-4-6-12(11)18-2)13-7-10(8-14)15-9-16-13/h3-7,9H,1-2H3
InChIKeyBTZGDEMKSVYVMA-UHFFFAOYSA-N
XLogP2.12
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
CID 115142866
2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544248
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
CID 115142786
[6-(5-bromo-2-methoxy-N-methylanilino)pyrimidin-4-yl]cyanamide
CID 115264570
N-(2-methoxyphenyl)-N-methyl-6-(methylaminomethyl)pyrazin-2-amine
CID 66457246
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016
6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
4-amino-3-(2-methoxy-N-methylanilino)benzonitrile
CID 104711821
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 115142851
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile (CID 115142865) is 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile is COc1ccccc1N(C)c1cc(C#N)ncn1.
What is the InChIKey of 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile?
The InChIKey is BTZGDEMKSVYVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17(11-5-3-4-6-12(11)18-2)13-7-10(8-14)15-9-16-13/h3-7,9H,1-2H3.
What are the key properties of 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile?
6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).