2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C18H15F6N5 — CID 89257681

IUPAC2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCC(F)(F)CNc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C18H15F6N5/c1-17(20,21)8-26-16-28-13-7-6-12(10-2-4-11(19)5-3-10)27-14(13)15(29-16)25-9-18(22,23)24/h2-7H,8-9H2,1H3,(H2,25,26,28,29)
InChIKeyHRDFSTNHSKOKJS-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.87
Rot. Bonds6

About 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 89257681) has the molecular formula C18H15F6N5 and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID89257681
Molecular FormulaC18H15F6N5
Molecular Weight415.34 g/mol
Exact Mass415.12
IUPAC Name2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCC(F)(F)CNc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C18H15F6N5/c1-17(20,21)8-26-16-28-13-7-6-12(10-2-4-11(19)5-3-10)27-14(13)15(29-16)25-9-18(22,23)24/h2-7H,8-9H2,1H3,(H2,25,26,28,29)
InChIKeyHRDFSTNHSKOKJS-UHFFFAOYSA-N
XLogP4.87
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine 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-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 89257681) is 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is CC(F)(F)CNc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is HRDFSTNHSKOKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5/c1-17(20,21)8-26-16-28-13-7-6-12(10-2-4-11(19)5-3-10)27-14(13)15(29-16)25-9-18(22,23)24/h2-7H,8-9H2,1H3,(H2,25,26,28,29).
What are the key properties of 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 415.34 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoropropyl)-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 89257681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).