2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol

C12H15ClFN5O — CID 155198949

IUPAC2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCCC(CO)Nc1nc(N)nc2cc(F)c(Cl)nc12
InChIInChI=1S/C12H15ClFN5O/c1-2-3-6(5-20)16-11-9-8(17-12(15)19-11)4-7(14)10(13)18-9/h4,6,20H,2-3,5H2,1H3,(H3,15,16,17,19)
InChIKeyGWQOVEBRNJVRRB-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.97
Rot. Bonds5

About 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol

2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 155198949) has the molecular formula C12H15ClFN5O and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID155198949
Molecular FormulaC12H15ClFN5O
Molecular Weight299.74 g/mol
Exact Mass299.09
IUPAC Name2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCCC(CO)Nc1nc(N)nc2cc(F)c(Cl)nc12
InChIInChI=1S/C12H15ClFN5O/c1-2-3-6(5-20)16-11-9-8(17-12(15)19-11)4-7(14)10(13)18-9/h4,6,20H,2-3,5H2,1H3,(H3,15,16,17,19)
InChIKeyGWQOVEBRNJVRRB-UHFFFAOYSA-N
XLogP1.97
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-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 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 155198949) is 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol is CCCC(CO)Nc1nc(N)nc2cc(F)c(Cl)nc12.
What is the InChIKey of 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is GWQOVEBRNJVRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN5O/c1-2-3-6(5-20)16-11-9-8(17-12(15)19-11)4-7(14)10(13)18-9/h4,6,20H,2-3,5H2,1H3,(H3,15,16,17,19).
What are the key properties of 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 299.74 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 155198949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).