2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C11H18N4O — CID 136778297

IUPAC2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCNC(C)C2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7-5-9(3-4-12-7)15-10-6-11(16)14-8(2)13-10/h6-7,9,12H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyVTHQNGUMCSFMEW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.63
Rot. Bonds2

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

2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136778297) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136778297
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCNC(C)C2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7-5-9(3-4-12-7)15-10-6-11(16)14-8(2)13-10/h6-7,9,12H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyVTHQNGUMCSFMEW-UHFFFAOYSA-N
XLogP0.63
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177233933
1-[4-[(6-Methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 118929981
6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
2,6-Dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 55237814
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
2,6-Dimethyl-3-piperidin-4-ylpyrimidin-4-one
CID 82105214
2-(Aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84687782
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105480522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136778297) is 2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2CCNC(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VTHQNGUMCSFMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-5-9(3-4-12-7)15-10-6-11(16)14-8(2)13-10/h6-7,9,12H,3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).