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

C9H12N4O2 — CID 136679991

IUPAC2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CNC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C9H12N4O2/c1-5-11-7(3-9(15)12-5)13-6-2-8(14)10-4-6/h3,6H,2,4H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyZMZNQAJZGHCUSV-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.62
Rot. Bonds2

About 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136679991) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136679991
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CNC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C9H12N4O2/c1-5-11-7(3-9(15)12-5)13-6-2-8(14)10-4-6/h3,6H,2,4H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyZMZNQAJZGHCUSV-UHFFFAOYSA-N
XLogP-0.62
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817
2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568857
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679993
4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136679994
2-cyclopropyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679996
5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679997
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680001
2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731503
2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136679991) is 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2CNC(=O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZMZNQAJZGHCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5-11-7(3-9(15)12-5)13-6-2-8(14)10-4-6/h3,6H,2,4H2,1H3,(H,10,14)(H2,11,12,13,15).
What are the key properties of 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 208.22 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136679991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).