[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C14H22N4O — CID 109360380

IUPAC[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(NC(C)C)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-10(2)15-13-9-12(16-11(3)17-13)14(19)18-7-5-4-6-8-18/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyVNSOVQBEIJJQDY-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.23
Rot. Bonds3

About [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109360380) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109360380
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(NC(C)C)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-10(2)15-13-9-12(16-11(3)17-13)14(19)18-7-5-4-6-8-18/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyVNSOVQBEIJJQDY-UHFFFAOYSA-N
XLogP2.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458122
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
azepan-1-yl-[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847771
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362973
azepan-1-yl-[2-methyl-6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 112847805
[6-(difluoromethyl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 165431443
azepan-1-yl-[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847774
azepan-1-yl-[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847776
[6-(2,5-dichloroanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363756
N-[3-[[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112847815

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109360380) is [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1nc(NC(C)C)cc(C(=O)N2CCCCC2)n1.
What is the InChIKey of [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is VNSOVQBEIJJQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)15-13-9-12(16-11(3)17-13)14(19)18-7-5-4-6-8-18/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 262.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109360380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).