[2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine

C15H9ClF4N4 — CID 58275412

IUPAC2-chloro-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESC1=CC(=CC=C1C2=NC3=C(C=C2)N=C(N=C3NCC(F)(F)F)Cl)F
InChIInChI=1S/C15H9ClF4N4/c16-14-23-11-6-5-10(8-1-3-9(17)4-2-8)22-12(11)13(24-14)21-7-15(18,19)20/h1-6H,7H2,(H,21,23,24)
InChIKeyUPAFPNDTRXMUJK-UHFFFAOYSA-N
MW356.70 g/mol
LogP4.70
Rot. Bonds3

About [2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine

[2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine (PubChem CID 58275412) has the molecular formula C15H9ClF4N4 and a molecular weight of 356.70 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name[2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine
PubChem CID58275412
Molecular FormulaC15H9ClF4N4
Molecular Weight356.70 g/mol
Exact Mass356.05
IUPAC Name2-chloro-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESC1=CC(=CC=C1C2=NC3=C(C=C2)N=C(N=C3NCC(F)(F)F)Cl)F
InChIInChI=1S/C15H9ClF4N4/c16-14-23-11-6-5-10(8-1-3-9(17)4-2-8)22-12(11)13(24-14)21-7-15(18,19)20/h1-6H,7H2,(H,21,23,24)
InChIKeyUPAFPNDTRXMUJK-UHFFFAOYSA-N
XLogP4.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity417

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.70
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine with MolForge

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Related Compounds

Triamterene
CID 5546
Spautin-1
CID 51037431
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
6,7-Diphenylpteridine-2,4-diamine
CID 223355
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
4-Anilino quinazoline deriv. 18
CID 5328017
4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328058
4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328069
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328077
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264

Frequently Asked Questions

What is the IUPAC name of [2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine?
The IUPAC name of [2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine (CID 58275412) is 2-chloro-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for [2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine?
The canonical SMILES for [2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine is C1=CC(=CC=C1C2=NC3=C(C=C2)N=C(N=C3NCC(F)(F)F)Cl)F.
What is the InChIKey of [2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine?
The InChIKey is UPAFPNDTRXMUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N4/c16-14-23-11-6-5-10(8-1-3-9(17)4-2-8)22-12(11)13(24-14)21-7-15(18,19)20/h1-6H,7H2,(H,21,23,24).
What are the key properties of [2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine?
[2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine has a molecular weight of 356.70 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-Chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)-amine is sourced from PubChem (CID 58275412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).