[4-(2-chloroethyl)pteridin-2-yl]methanamine

C9H10ClN5 — CID 23182427

IUPAC[4-(2-chloroethyl)pteridin-2-yl]methanamine
SMILESNCc1nc(CCCl)c2nccnc2n1
InChIInChI=1S/C9H10ClN5/c10-2-1-6-8-9(13-4-3-12-8)15-7(5-11)14-6/h3-4H,1-2,5,11H2
InChIKeyJISOWJCABPTQJV-UHFFFAOYSA-N
MW223.67 g/mol
LogP0.66
Rot. Bonds3

About [4-(2-chloroethyl)pteridin-2-yl]methanamine

[4-(2-chloroethyl)pteridin-2-yl]methanamine (PubChem CID 23182427) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is [4-(2-chloroethyl)pteridin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-chloroethyl)pteridin-2-yl]methanamine
PubChem CID23182427
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name[4-(2-chloroethyl)pteridin-2-yl]methanamine
SMILESNCc1nc(CCCl)c2nccnc2n1
InChIInChI=1S/C9H10ClN5/c10-2-1-6-8-9(13-4-3-12-8)15-7(5-11)14-6/h3-4H,1-2,5,11H2
InChIKeyJISOWJCABPTQJV-UHFFFAOYSA-N
XLogP0.66
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(2-chloroethyl)pteridin-2-yl]methanamine 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-(2-chloroethyl)pteridin-2-yl]methanamine?
The IUPAC name of [4-(2-chloroethyl)pteridin-2-yl]methanamine (CID 23182427) is [4-(2-chloroethyl)pteridin-2-yl]methanamine.
What is the SMILES notation for [4-(2-chloroethyl)pteridin-2-yl]methanamine?
The canonical SMILES for [4-(2-chloroethyl)pteridin-2-yl]methanamine is NCc1nc(CCCl)c2nccnc2n1.
What is the InChIKey of [4-(2-chloroethyl)pteridin-2-yl]methanamine?
The InChIKey is JISOWJCABPTQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c10-2-1-6-8-9(13-4-3-12-8)15-7(5-11)14-6/h3-4H,1-2,5,11H2.
What are the key properties of [4-(2-chloroethyl)pteridin-2-yl]methanamine?
[4-(2-chloroethyl)pteridin-2-yl]methanamine has a molecular weight of 223.67 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethyl)pteridin-2-yl]methanamine is sourced from PubChem (CID 23182427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).