5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C11H16N4O3 — CID 136976009

IUPAC5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(=O)N(C)C2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-15-5-7(3-4-8(15)16)14-10-9(18-2)11(17)13-6-12-10/h6-7H,3-5H2,1-2H3,(H2,12,13,14,17)
InChIKeyAUVLMYDJPPDBPT-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.19
Rot. Bonds3

About 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976009) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976009
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(=O)N(C)C2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-15-5-7(3-4-8(15)16)14-10-9(18-2)11(17)13-6-12-10/h6-7H,3-5H2,1-2H3,(H2,12,13,14,17)
InChIKeyAUVLMYDJPPDBPT-UHFFFAOYSA-N
XLogP-0.19
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687974
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687980
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
5-methoxy-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780973
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780980
5-methoxy-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780988
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805283
5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805293
4-[ethyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805302
5-methoxy-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805310

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136976009) is 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is COc1c(NC2CCC(=O)N(C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is AUVLMYDJPPDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-15-5-7(3-4-8(15)16)14-10-9(18-2)11(17)13-6-12-10/h6-7H,3-5H2,1-2H3,(H2,12,13,14,17).
What are the key properties of 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 252.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).