5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one

C12H18N4O — CID 64668602

IUPAC5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one
SMILESCc1cc(C)nc(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C12H18N4O/c1-8-6-9(2)14-12(13-8)15-10-4-5-11(17)16(3)7-10/h6,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyNTCSAVFWBCPILY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds2

About 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one

5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one (PubChem CID 64668602) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one
PubChem CID64668602
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one
SMILESCc1cc(C)nc(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C12H18N4O/c1-8-6-9(2)14-12(13-8)15-10-4-5-11(17)16(3)7-10/h6,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyNTCSAVFWBCPILY-UHFFFAOYSA-N
XLogP1.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-cyclohexyl-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 938501
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
N~2~-cyano-N~2~-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylalaninamide
CID 2909654

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one (CID 64668602) is 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one is Cc1cc(C)nc(NC2CCC(=O)N(C)C2)n1.
What is the InChIKey of 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is NTCSAVFWBCPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-6-9(2)14-12(13-8)15-10-4-5-11(17)16(3)7-10/h6,10H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one?
5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64668602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).