6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile

C13H19N5 — CID 107552634

IUPAC6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)CC2CCNCC2)n1
InChIInChI=1S/C13H19N5/c1-10-7-12(8-14)17-13(16-10)18(2)9-11-3-5-15-6-4-11/h7,11,15H,3-6,9H2,1-2H3
InChIKeyHXPIMNBFFMVGHS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.09
Rot. Bonds3

About 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile

6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107552634) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
PubChem CID107552634
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)CC2CCNCC2)n1
InChIInChI=1S/C13H19N5/c1-10-7-12(8-14)17-13(16-10)18(2)9-11-3-5-15-6-4-11/h7,11,15H,3-6,9H2,1-2H3
InChIKeyHXPIMNBFFMVGHS-UHFFFAOYSA-N
XLogP1.09
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552639
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
4-ethoxy-N,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 112635056
2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544097
4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
CID 69426314
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107544379
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544849
2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81035702
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552777

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile (CID 107552634) is 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N(C)CC2CCNCC2)n1.
What is the InChIKey of 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is HXPIMNBFFMVGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-7-12(8-14)17-13(16-10)18(2)9-11-3-5-15-6-4-11/h7,11,15H,3-6,9H2,1-2H3.
What are the key properties of 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile?
6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).