4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one

C15H18N6O — CID 136662198

IUPAC4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESNc1nc2c(c(NC3CC(c4cc(=O)[nH]cn4)C3)n1)CCC2
InChIInChI=1S/C15H18N6O/c16-15-20-11-3-1-2-10(11)14(21-15)19-9-4-8(5-9)12-6-13(22)18-7-17-12/h6-9H,1-5H2,(H,17,18,22)(H3,16,19,20,21)
InChIKeyZGQNCZFCLWWJHZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.99
Rot. Bonds3

About 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one

4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one (PubChem CID 136662198) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
PubChem CID136662198
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESNc1nc2c(c(NC3CC(c4cc(=O)[nH]cn4)C3)n1)CCC2
InChIInChI=1S/C15H18N6O/c16-15-20-11-3-1-2-10(11)14(21-15)19-9-4-8(5-9)12-6-13(22)18-7-17-12/h6-9H,1-5H2,(H,17,18,22)(H3,16,19,20,21)
InChIKeyZGQNCZFCLWWJHZ-UHFFFAOYSA-N
XLogP0.99
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-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 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one (CID 136662198) is 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one is Nc1nc2c(c(NC3CC(c4cc(=O)[nH]cn4)C3)n1)CCC2.
What is the InChIKey of 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
The InChIKey is ZGQNCZFCLWWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c16-15-20-11-3-1-2-10(11)14(21-15)19-9-4-8(5-9)12-6-13(22)18-7-17-12/h6-9H,1-5H2,(H,17,18,22)(H3,16,19,20,21).
What are the key properties of 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one has a molecular weight of 298.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136662198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).