2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

C12H18N4O2 — CID 137015554

IUPAC2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC(=O)N2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-9-14-10(7-11(17)15-9)13-8-12(18)16-5-3-2-4-6-16/h7H,2-6,8H2,1H3,(H2,13,14,15,17)
InChIKeyOQACPRWKNWBNEA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds3

About 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 137015554) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID137015554
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC(=O)N2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-9-14-10(7-11(17)15-9)13-8-12(18)16-5-3-2-4-6-16/h7H,2-6,8H2,1H3,(H2,13,14,15,17)
InChIKeyOQACPRWKNWBNEA-UHFFFAOYSA-N
XLogP0.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (CID 137015554) is 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is Cc1nc(NCC(=O)N2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is OQACPRWKNWBNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-14-10(7-11(17)15-9)13-8-12(18)16-5-3-2-4-6-16/h7H,2-6,8H2,1H3,(H2,13,14,15,17).
What are the key properties of 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137015554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).