3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol

C7H11ClN4O — CID 500506

IUPAC3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol
SMILESNc1nc(Cl)cc(NCCCO)n1
InChIInChI=1S/C7H11ClN4O/c8-5-4-6(10-2-1-3-13)12-7(9)11-5/h4,13H,1-3H2,(H3,9,10,11,12)
InChIKeyDNRWXRNWEKRAPH-UHFFFAOYSA-N
MW202.65 g/mol
LogP0.51
Rot. Bonds4

About 3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol

3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol (PubChem CID 500506) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is 3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol
PubChem CID500506
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol
SMILESNc1nc(Cl)cc(NCCCO)n1
InChIInChI=1S/C7H11ClN4O/c8-5-4-6(10-2-1-3-13)12-7(9)11-5/h4,13H,1-3H2,(H3,9,10,11,12)
InChIKeyDNRWXRNWEKRAPH-UHFFFAOYSA-N
XLogP0.51
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2-amino-6-chloropyrimidin-4-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-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol (CID 500506) is 3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol is Nc1nc(Cl)cc(NCCCO)n1.
What is the InChIKey of 3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is DNRWXRNWEKRAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c8-5-4-6(10-2-1-3-13)12-7(9)11-5/h4,13H,1-3H2,(H3,9,10,11,12).
What are the key properties of 3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol?
3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 202.65 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-chloropyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 500506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).