[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

C15H24N4O — CID 97458122

IUPAC[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCC[C@@H](C)Nc1cc(C(=O)N2CCCCC2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-4-11(2)16-14-10-13(17-12(3)18-14)15(20)19-8-6-5-7-9-19/h10-11H,4-9H2,1-3H3,(H,16,17,18)/t11-/m1/s1
InChIKeyKYMXNKMEPMBMFX-LLVKDONJSA-N
MW276.38 g/mol
LogP2.62
Rot. Bonds4

About [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 97458122) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID97458122
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCC[C@@H](C)Nc1cc(C(=O)N2CCCCC2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-4-11(2)16-14-10-13(17-12(3)18-14)15(20)19-8-6-5-7-9-19/h10-11H,4-9H2,1-3H3,(H,16,17,18)/t11-/m1/s1
InChIKeyKYMXNKMEPMBMFX-LLVKDONJSA-N
XLogP2.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109360380
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109362356
azepan-1-yl-[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321261
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109362393
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
azepan-1-yl-[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847776
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
CID 112868302
[6-(diethylamino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363663
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109361944
azepan-1-yl-[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847771
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109362317

Frequently Asked Questions

What is the IUPAC name of [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (CID 97458122) is [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is CC[C@@H](C)Nc1cc(C(=O)N2CCCCC2)nc(C)n1.
What is the InChIKey of [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is KYMXNKMEPMBMFX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-11(2)16-14-10-13(17-12(3)18-14)15(20)19-8-6-5-7-9-19/h10-11H,4-9H2,1-3H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 276.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 97458122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).