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

1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
6-Ethyl-2,4-diisobutylaminopyrimidine
CID 25133613
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
4-Tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 25128825
4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine
CID 118720440
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
4-Cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine
CID 118720439
2-Amino-4-(4-methylpiperidin-1-yl)-6-(tert-butyl)pyrimidine
CID 25130575
1,1-Dibutyl-3-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 9567379
N-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide
CID 5728930
4,6-Dimethyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 19969739

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).