2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol

C10H16ClN3O — CID 79557211

IUPAC2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1ncc(Cl)cn1
InChIInChI=1S/C10H16ClN3O/c1-7(2)3-9(6-15)14-10-12-4-8(11)5-13-10/h4-5,7,9,15H,3,6H2,1-2H3,(H,12,13,14)
InChIKeyVNWNPBSESRTOKD-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.95
Rot. Bonds5

About 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol

2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol (PubChem CID 79557211) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
PubChem CID79557211
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1ncc(Cl)cn1
InChIInChI=1S/C10H16ClN3O/c1-7(2)3-9(6-15)14-10-12-4-8(11)5-13-10/h4-5,7,9,15H,3,6H2,1-2H3,(H,12,13,14)
InChIKeyVNWNPBSESRTOKD-UHFFFAOYSA-N
XLogP1.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-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-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol (CID 79557211) is 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol is CC(C)CC(CO)Nc1ncc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol?
The InChIKey is VNWNPBSESRTOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(2)3-9(6-15)14-10-12-4-8(11)5-13-10/h4-5,7,9,15H,3,6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol?
2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 79557211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).