2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one

C12H17N3O2 — CID 136911211

IUPAC2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8-10(11(16)14-9(2)13-8)12(17)15-6-4-3-5-7-15/h3-7H2,1-2H3,(H,13,14,16)
InChIKeyRCAILABSKNUMFB-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.01
Rot. Bonds1

About 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one

2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 136911211) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID136911211
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8-10(11(16)14-9(2)13-8)12(17)15-6-4-3-5-7-15/h3-7H2,1-2H3,(H,13,14,16)
InChIKeyRCAILABSKNUMFB-UHFFFAOYSA-N
XLogP1.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine-3-carboxamide
CID 20452142
2-Butyl-6-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4(3H)-one
CID 135674970
6-Acetyl-2-butyl-5,6,7,8-tetrahydro-pyrido-[4,3-d]pyrimidin-4(3H)-one
CID 136014034
N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide
CID 142708892
N-ethyl-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 153548836
2-hydroxy-4-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 153548840
2-Methyl-5-(piperidylmethyl)pyrimidine-4,6-diol
CID 3489834
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567
5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896274
5-[(2S)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896275
5-[4-[(1R)-1-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96398272

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 136911211) is 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one is Cc1nc(C)c(C(=O)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is RCAILABSKNUMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-10(11(16)14-9(2)13-8)12(17)15-6-4-3-5-7-15/h3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136911211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).