2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine

C17H25ClF3N3 — CID 150346047

IUPAC2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCCCCCCCc1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C17H25ClF3N3/c18-16-22-12-13(15(24-16)23-14-9-10-14)8-6-4-2-1-3-5-7-11-17(19,20)21/h12,14H,1-11H2,(H,22,23,24)
InChIKeyGSSRFJYHBOOBQC-UHFFFAOYSA-N
MW363.86 g/mol
LogP5.93
Rot. Bonds11

About 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine

2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine (PubChem CID 150346047) has the molecular formula C17H25ClF3N3 and a molecular weight of 363.86 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine
PubChem CID150346047
Molecular FormulaC17H25ClF3N3
Molecular Weight363.86 g/mol
Exact Mass363.17
IUPAC Name2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCCCCCCCc1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C17H25ClF3N3/c18-16-22-12-13(15(24-16)23-14-9-10-14)8-6-4-2-1-3-5-7-11-17(19,20)21/h12,14H,1-11H2,(H,22,23,24)
InChIKeyGSSRFJYHBOOBQC-UHFFFAOYSA-N
XLogP5.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.86
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-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 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine (CID 150346047) is 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine is FC(F)(F)CCCCCCCCCc1cnc(Cl)nc1NC1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine?
The InChIKey is GSSRFJYHBOOBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClF3N3/c18-16-22-12-13(15(24-16)23-14-9-10-14)8-6-4-2-1-3-5-7-11-17(19,20)21/h12,14H,1-11H2,(H,22,23,24).
What are the key properties of 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine?
2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine has a molecular weight of 363.86 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine is sourced from PubChem (CID 150346047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).