2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one

C14H24N4O — CID 136805299

IUPAC2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(N(CC2CCCCN2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)18(9-12-6-4-5-7-15-12)13-8-14(19)17-11(3)16-13/h8,10,12,15H,4-7,9H2,1-3H3,(H,16,17,19)
InChIKeyXTDMRDYDANAJRH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.44
Rot. Bonds4

About 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one

2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136805299) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136805299
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(N(CC2CCCCN2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)18(9-12-6-4-5-7-15-12)13-8-14(19)17-11(3)16-13/h8,10,12,15H,4-7,9H2,1-3H3,(H,16,17,19)
InChIKeyXTDMRDYDANAJRH-UHFFFAOYSA-N
XLogP1.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177233933
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171498
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
1-[4-[(6-Methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 118929981
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
2-(piperidin-2-ylmethylamino)-1H-pyrimidin-6-one
CID 145572095

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one (CID 136805299) is 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one is Cc1nc(N(CC2CCCCN2)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is XTDMRDYDANAJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)18(9-12-6-4-5-7-15-12)13-8-14(19)17-11(3)16-13/h8,10,12,15H,4-7,9H2,1-3H3,(H,16,17,19).
What are the key properties of 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).