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

C10H14ClN3O — CID 82461101

IUPAC3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol
SMILESOCCCNc1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C10H14ClN3O/c11-9-7-3-1-4-8(7)13-10(14-9)12-5-2-6-15/h15H,1-6H2,(H,12,13,14)
InChIKeyYZHLCCFVBCHUAI-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.41
Rot. Bonds4

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

3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol (PubChem CID 82461101) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol
PubChem CID82461101
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol
SMILESOCCCNc1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C10H14ClN3O/c11-9-7-3-1-4-8(7)13-10(14-9)12-5-2-6-15/h15H,1-6H2,(H,12,13,14)
InChIKeyYZHLCCFVBCHUAI-UHFFFAOYSA-N
XLogP1.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol 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 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol (CID 82461101) is 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol is OCCCNc1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is YZHLCCFVBCHUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-7-3-1-4-8(7)13-10(14-9)12-5-2-6-15/h15H,1-6H2,(H,12,13,14).
What are the key properties of 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol?
3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 227.69 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 82461101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).