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

C10H14N4O2 — CID 136956820

IUPAC2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCC(=O)N2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-6-12-8(4-10(16)13-6)11-5-7-2-3-9(15)14-7/h4,7H,2-3,5H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyPOZZCFUDHZDCDN-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.23
Rot. Bonds3

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

2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956820) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956820
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCC(=O)N2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-6-12-8(4-10(16)13-6)11-5-7-2-3-9(15)14-7/h4,7H,2-3,5H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyPOZZCFUDHZDCDN-UHFFFAOYSA-N
XLogP-0.23
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-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

2(1H)-Pyrimidinone, 4-amino-1-[(5-oxo-2-pyrrolidinyl)methyl]-, (S)-
CID 15698895
2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 142147356
(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
4-amino-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136077850
6-Methyl-2-(5-oxopyrrolidin-2-yl)pyrimidin-4(1H)-one
CID 136236040
2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568411
2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568857
2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679991
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
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136956820) is 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1nc(NCC2CCC(=O)N2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is POZZCFUDHZDCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-12-8(4-10(16)13-6)11-5-7-2-3-9(15)14-7/h4,7H,2-3,5H2,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 222.25 g/mol, XLogP of -0.23, 3 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-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).