N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

C11H15ClF3N3 — CID 64586830

IUPACN-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)N(CCCCl)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3/c1-8(2)18(7-3-5-12)10-16-6-4-9(17-10)11(13,14)15/h4,6,8H,3,5,7H2,1-2H3
InChIKeyQZZWSCQRWGWFNH-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.34
Rot. Bonds5

About N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 64586830) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID64586830
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC NameN-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)N(CCCCl)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3/c1-8(2)18(7-3-5-12)10-16-6-4-9(17-10)11(13,14)15/h4,6,8H,3,5,7H2,1-2H3
InChIKeyQZZWSCQRWGWFNH-UHFFFAOYSA-N
XLogP3.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine 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 N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (CID 64586830) is N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)N(CCCCl)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QZZWSCQRWGWFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-8(2)18(7-3-5-12)10-16-6-4-9(17-10)11(13,14)15/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 281.71 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 64586830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).