7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine

C48H39ClF12N18O4 — CID 159931503

IUPAC7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine
SMILESCc1cc(Cl)nc2nc(N)nc(N)c12.Cc1cc(NCc2cc(F)cc(C(F)(F)F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2cc(F)cc(C(F)(F)F)c2)nc2nc([N+](=O)[O-])nc([N+](=O)[O-])c12.NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10F4N6O4.C16H14F4N6.C8H8ClN5.C8H7F4N/c1-7-2-11(21-6-8-3-9(16(18,19)20)5-10(17)4-8)22-13-12(7)14(25(27)28)24-15(23-13)26(29)30;1-7-2-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-3-9(16(18,19)20)5-10(17)4-8;1-3-2-4(9)12-7-5(3)6(10)13-8(11)14-7;9-7-2-5(4-13)1-6(3-7)8(10,11)12/h2-5H,6H2,1H3,(H,21,22,23,24);2-5H,6H2,1H3,(H5,21,22,23,24,25,26);2H,1H3,(H4,10,11,12,13,14);1-3H,4,13H2
InChIKeyNZRVCJUDLBPSEY-UHFFFAOYSA-N
MW1195.39 g/mol
LogP10.64
Rot. Bonds9

About 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine

7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine (PubChem CID 159931503) has the molecular formula C48H39ClF12N18O4 and a molecular weight of 1195.39 g/mol. Its IUPAC name is 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine.

Molecular Properties

Compound Name7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine
PubChem CID159931503
Molecular FormulaC48H39ClF12N18O4
Molecular Weight1195.39 g/mol
Exact Mass1194.29
IUPAC Name7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine
SMILESCc1cc(Cl)nc2nc(N)nc(N)c12.Cc1cc(NCc2cc(F)cc(C(F)(F)F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2cc(F)cc(C(F)(F)F)c2)nc2nc([N+](=O)[O-])nc([N+](=O)[O-])c12.NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10F4N6O4.C16H14F4N6.C8H8ClN5.C8H7F4N/c1-7-2-11(21-6-8-3-9(16(18,19)20)5-10(17)4-8)22-13-12(7)14(25(27)28)24-15(23-13)26(29)30;1-7-2-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-3-9(16(18,19)20)5-10(17)4-8;1-3-2-4(9)12-7-5(3)6(10)13-8(11)14-7;9-7-2-5(4-13)1-6(3-7)8(10,11)12/h2-5H,6H2,1H3,(H,21,22,23,24);2-5H,6H2,1H3,(H5,21,22,23,24,25,26);2H,1H3,(H4,10,11,12,13,14);1-3H,4,13H2
InChIKeyNZRVCJUDLBPSEY-UHFFFAOYSA-N
XLogP10.64
TPSA356.45 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001195.39
LogP ≤ 510.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine with MolForge

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Related Compounds

(R)-7-chloro-N-(1-(3-(difluoro(1-isopropylpiperidin-4-yl)methyl)-2-fluorophenyl)ethyl)-6-(1-isopropylpiperidin-4-yl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 164919207
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine
CID 58854580
7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine
CID 159010425
1,3-dinitro-N-[(3,4,5-trifluorophenyl)methyl]-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6-amine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-dinitro-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6-amine
CID 160974325
2-chloro-5,7-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;5,7-difluoro-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;1-methylpiperazine
CID 157914961
6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671118

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine?
The IUPAC name of 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine (CID 159931503) is 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine.
What is the SMILES notation for 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine?
The canonical SMILES for 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine is Cc1cc(Cl)nc2nc(N)nc(N)c12.Cc1cc(NCc2cc(F)cc(C(F)(F)F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2cc(F)cc(C(F)(F)F)c2)nc2nc([N+](=O)[O-])nc([N+](=O)[O-])c12.NCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine?
The InChIKey is NZRVCJUDLBPSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N6O4.C16H14F4N6.C8H8ClN5.C8H7F4N/c1-7-2-11(21-6-8-3-9(16(18,19)20)5-10(17)4-8)22-13-12(7)14(25(27)28)24-15(23-13)26(29)30;1-7-2-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-3-9(16(18,19)20)5-10(17)4-8;1-3-2-4(9)12-7-5(3)6(10)13-8(11)14-7;9-7-2-5(4-13)1-6(3-7)8(10,11)12/h2-5H,6H2,1H3,(H,21,22,23,24);2-5H,6H2,1H3,(H5,21,22,23,24,25,26);2H,1H3,(H4,10,11,12,13,14);1-3H,4,13H2.
What are the key properties of 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine?
7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine has a molecular weight of 1195.39 g/mol, XLogP of 10.64, 9 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dinitropyrido[2,3-d]pyrimidin-7-amine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine is sourced from PubChem (CID 159931503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).