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

C9H13N5O2 — CID 136864277

IUPAC5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc[nH]c(=O)c2N)C1=O
InChIInChI=1S/C9H13N5O2/c1-14-3-2-5(9(14)16)13-7-6(10)8(15)12-4-11-7/h4-5H,2-3,10H2,1H3,(H2,11,12,13,15)
InChIKeyRUUNJYKNHDNWJR-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.01
Rot. Bonds2

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

5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136864277) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136864277
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc[nH]c(=O)c2N)C1=O
InChIInChI=1S/C9H13N5O2/c1-14-3-2-5(9(14)16)13-7-6(10)8(15)12-4-11-7/h4-5H,2-3,10H2,1H3,(H2,11,12,13,15)
InChIKeyRUUNJYKNHDNWJR-UHFFFAOYSA-N
XLogP-1.01
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[(1-methyl-2-oxopyrrolidin-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

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
CID 135802456
N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
CID 135802457
3-Amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione
CID 135991969
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 136477508
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 136477530
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 136477546
5-Amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582511
5-amino-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135786488
5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677204
5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679993
5-chloro-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679995
5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679997

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136864277) is 5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CN1CCC(Nc2nc[nH]c(=O)c2N)C1=O.
What is the InChIKey of 5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is RUUNJYKNHDNWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-14-3-2-5(9(14)16)13-7-6(10)8(15)12-4-11-7/h4-5H,2-3,10H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.24 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136864277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).