2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one

C9H14N4O — CID 144630147

IUPAC2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2cnc(N)[nH]c2=O)N1
InChIInChI=1S/C9H14N4O/c1-5-2-3-7(12-5)6-4-11-9(10)13-8(6)14/h4-5,7,12H,2-3H2,1H3,(H3,10,11,13,14)
InChIKeyXIFRMRSLEQXDFD-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.17
Rot. Bonds1

About 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one

2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one (PubChem CID 144630147) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one
PubChem CID144630147
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2cnc(N)[nH]c2=O)N1
InChIInChI=1S/C9H14N4O/c1-5-2-3-7(12-5)6-4-11-9(10)13-8(6)14/h4-5,7,12H,2-3H2,1H3,(H3,10,11,13,14)
InChIKeyXIFRMRSLEQXDFD-UHFFFAOYSA-N
XLogP0.17
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-(5-methylpyrrolidin-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one (CID 144630147) is 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one is CC1CCC(c2cnc(N)[nH]c2=O)N1.
What is the InChIKey of 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is XIFRMRSLEQXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5-2-3-7(12-5)6-4-11-9(10)13-8(6)14/h4-5,7,12H,2-3H2,1H3,(H3,10,11,13,14).
What are the key properties of 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one?
2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 144630147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).