2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C33H32BrF3N10 — CID 177147592

IUPAC2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NCc3ccc(Br)cc3)nc2n1.Cc1cc(C)c2c(N)nc(NCc3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C17H16F3N5.C16H16BrN5/c1-9-7-10(2)23-15-13(9)14(21)24-16(25-15)22-8-11-5-3-4-6-12(11)17(18,19)20;1-9-7-10(2)20-15-13(9)14(18)21-16(22-15)19-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H3,21,22,23,24,25);3-7H,8H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyDXQKXSYUBOYOOK-UHFFFAOYSA-N
MW705.59 g/mol
LogP7.45
Rot. Bonds6

About 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 177147592) has the molecular formula C33H32BrF3N10 and a molecular weight of 705.59 g/mol. Its IUPAC name is 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID177147592
Molecular FormulaC33H32BrF3N10
Molecular Weight705.59 g/mol
Exact Mass704.19
IUPAC Name2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NCc3ccc(Br)cc3)nc2n1.Cc1cc(C)c2c(N)nc(NCc3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C17H16F3N5.C16H16BrN5/c1-9-7-10(2)23-15-13(9)14(21)24-16(25-15)22-8-11-5-3-4-6-12(11)17(18,19)20;1-9-7-10(2)20-15-13(9)14(18)21-16(22-15)19-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H3,21,22,23,24,25);3-7H,8H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyDXQKXSYUBOYOOK-UHFFFAOYSA-N
XLogP7.45
TPSA153.44 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.59
LogP ≤ 57.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5,7-dimethyl-2-N-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147652
2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147620
2-methyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 62881302
3-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66274945
4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 65468894
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 103590333
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine
CID 103518072
5,7-dimethyl-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147679
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80825700
6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 82564742
6-hydrazinyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80905114

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 177147592) is 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(C)c2c(N)nc(NCc3ccc(Br)cc3)nc2n1.Cc1cc(C)c2c(N)nc(NCc3ccccc3C(F)(F)F)nc2n1.
What is the InChIKey of 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DXQKXSYUBOYOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5.C16H16BrN5/c1-9-7-10(2)23-15-13(9)14(21)24-16(25-15)22-8-11-5-3-4-6-12(11)17(18,19)20;1-9-7-10(2)20-15-13(9)14(18)21-16(22-15)19-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H3,21,22,23,24,25);3-7H,8H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 705.59 g/mol, XLogP of 7.45, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromophenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;5,7-dimethyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 177147592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).