6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile

C13H12N4O — CID 115142866

IUPAC6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
SMILESCOc1cccc(N(C)c2cc(C#N)ncn2)c1
InChIInChI=1S/C13H12N4O/c1-17(11-4-3-5-12(7-11)18-2)13-6-10(8-14)15-9-16-13/h3-7,9H,1-2H3
InChIKeyKDIGQFVJZHDQEJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.12
Rot. Bonds3

About 6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile

6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile (PubChem CID 115142866) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
PubChem CID115142866
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
SMILESCOc1cccc(N(C)c2cc(C#N)ncn2)c1
InChIInChI=1S/C13H12N4O/c1-17(11-4-3-5-12(7-11)18-2)13-6-10(8-14)15-9-16-13/h3-7,9H,1-2H3
InChIKeyKDIGQFVJZHDQEJ-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

4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile
CID 62935538
6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80908091
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80816541
6-[(3-methoxyphenyl)methyl]pyrimidine-4-carbonitrile
CID 121206299
2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile
CID 62002258
3,5-difluoro-4-(3-methoxy-N-methylanilino)benzonitrile
CID 81283190
6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 115142851
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 62002636
3-methoxy-N,N-disilylaniline
CID 149149494
chloro-(3-methoxyphenyl)cyanamide
CID 154075704

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile (CID 115142866) is 6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile is COc1cccc(N(C)c2cc(C#N)ncn2)c1.
What is the InChIKey of 6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile?
The InChIKey is KDIGQFVJZHDQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17(11-4-3-5-12(7-11)18-2)13-6-10(8-14)15-9-16-13/h3-7,9H,1-2H3.
What are the key properties of 6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile?
6-(3-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-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).