[3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol

C9H13ClN4O — CID 14781909

IUPAC[3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESNc1c(Cl)ncnc1NC1CC(CO)C1
InChIInChI=1S/C9H13ClN4O/c10-8-7(11)9(13-4-12-8)14-6-1-5(2-6)3-15/h4-6,15H,1-3,11H2,(H,12,13,14)
InChIKeyGQGVNQRGZDCXSQ-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.89
Rot. Bonds3

About [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol

[3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol (PubChem CID 14781909) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol
PubChem CID14781909
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name[3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESNc1c(Cl)ncnc1NC1CC(CO)C1
InChIInChI=1S/C9H13ClN4O/c10-8-7(11)9(13-4-12-8)14-6-1-5(2-6)3-15/h4-6,15H,1-3,11H2,(H,12,13,14)
InChIKeyGQGVNQRGZDCXSQ-UHFFFAOYSA-N
XLogP0.89
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol 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-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol?
The IUPAC name of [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol (CID 14781909) is [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol is Nc1c(Cl)ncnc1NC1CC(CO)C1.
What is the InChIKey of [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol?
The InChIKey is GQGVNQRGZDCXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c10-8-7(11)9(13-4-12-8)14-6-1-5(2-6)3-15/h4-6,15H,1-3,11H2,(H,12,13,14).
What are the key properties of [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol?
[3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol has a molecular weight of 228.68 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol is sourced from PubChem (CID 14781909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).