2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

C16H19N5O3 — CID 72928554

IUPAC2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC(C(=O)c3nccn3C)C2)c(=O)[nH]1
InChIInChI=1S/C16H19N5O3/c1-10-18-8-12(15(23)19-10)16(24)21-6-3-4-11(9-21)13(22)14-17-5-7-20(14)2/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,18,19,23)
InChIKeyCANONZWBKLTMIN-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.55
Rot. Bonds3

About 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 72928554) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID72928554
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC(C(=O)c3nccn3C)C2)c(=O)[nH]1
InChIInChI=1S/C16H19N5O3/c1-10-18-8-12(15(23)19-10)16(24)21-6-3-4-11(9-21)13(22)14-17-5-7-20(14)2/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,18,19,23)
InChIKeyCANONZWBKLTMIN-UHFFFAOYSA-N
XLogP0.55
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 72928554) is 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCCC(C(=O)c3nccn3C)C2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is CANONZWBKLTMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-18-8-12(15(23)19-10)16(24)21-6-3-4-11(9-21)13(22)14-17-5-7-20(14)2/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,18,19,23).
What are the key properties of 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 329.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 72928554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).