2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine

C28H19Cl3F6N10 — CID 157192623

IUPAC2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESClc1nc(Cl)c2cccnc2n1.FC(F)(F)c1ncccc1CNc1nc(Cl)nc2ncccc12.NCc1cccnc1C(F)(F)F
InChIInChI=1S/C14H9ClF3N5.C7H3Cl2N3.C7H7F3N2/c15-13-22-11-9(4-2-6-20-11)12(23-13)21-7-8-3-1-5-19-10(8)14(16,17)18;8-5-4-2-1-3-10-6(4)12-7(9)11-5;8-7(9,10)6-5(4-11)2-1-3-12-6/h1-6H,7H2,(H,20,21,22,23);1-3H;1-3H,4,11H2
InChIKeyAPWNGNXDCRUIMS-UHFFFAOYSA-N
MW715.88 g/mol
LogP7.59
Rot. Bonds4

About 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine

2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 157192623) has the molecular formula C28H19Cl3F6N10 and a molecular weight of 715.88 g/mol. Its IUPAC name is 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID157192623
Molecular FormulaC28H19Cl3F6N10
Molecular Weight715.88 g/mol
Exact Mass714.08
IUPAC Name2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESClc1nc(Cl)c2cccnc2n1.FC(F)(F)c1ncccc1CNc1nc(Cl)nc2ncccc12.NCc1cccnc1C(F)(F)F
InChIInChI=1S/C14H9ClF3N5.C7H3Cl2N3.C7H7F3N2/c15-13-22-11-9(4-2-6-20-11)12(23-13)21-7-8-3-1-5-19-10(8)14(16,17)18;8-5-4-2-1-3-10-6(4)12-7(9)11-5;8-7(9,10)6-5(4-11)2-1-3-12-6/h1-6H,7H2,(H,20,21,22,23);1-3H;1-3H,4,11H2
InChIKeyAPWNGNXDCRUIMS-UHFFFAOYSA-N
XLogP7.59
TPSA141.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.88
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

SD-208
CID 10316032
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 46203867
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[2,3-d]pyrimidin-4-yl]amine
CID 46202912
N-[5-Chloro-6-Methyl-2-(2-Pyridinyl)-4-Pyrimidinyl]-N'-[4-(Trifluoromethyl)-2-Pyridinyl]-1,2-Ethanediamine
CID 2725964
6-chloro-2-isoquinolin-3-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 11488202
2-(5-Chloro-2-fluorophenyl)-4-(3-ethyl-4-pyridylamino)pteridine
CID 44432057
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-[1,8]naphthyridin-4-ylamine
CID 46203543

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine (CID 157192623) is 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine is Clc1nc(Cl)c2cccnc2n1.FC(F)(F)c1ncccc1CNc1nc(Cl)nc2ncccc12.NCc1cccnc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is APWNGNXDCRUIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5.C7H3Cl2N3.C7H7F3N2/c15-13-22-11-9(4-2-6-20-11)12(23-13)21-7-8-3-1-5-19-10(8)14(16,17)18;8-5-4-2-1-3-10-6(4)12-7(9)11-5;8-7(9,10)6-5(4-11)2-1-3-12-6/h1-6H,7H2,(H,20,21,22,23);1-3H;1-3H,4,11H2.
What are the key properties of 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine?
2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 715.88 g/mol, XLogP of 7.59, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2,4-dichloropyrido[2,3-d]pyrimidine;[2-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 157192623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).