2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

C17H15BrF3N5 — CID 177147620

IUPAC2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NC(c3cccc(Br)c3)C(F)(F)F)nc2n1
InChIInChI=1S/C17H15BrF3N5/c1-8-6-9(2)23-15-12(8)14(22)25-16(26-15)24-13(17(19,20)21)10-4-3-5-11(18)7-10/h3-7,13H,1-2H3,(H3,22,23,24,25,26)
InChIKeyLSGFZXKAZQPKDK-UHFFFAOYSA-N
MW426.24 g/mol
LogP4.70
Rot. Bonds3

About 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 177147620) has the molecular formula C17H15BrF3N5 and a molecular weight of 426.24 g/mol. Its IUPAC name is 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID177147620
Molecular FormulaC17H15BrF3N5
Molecular Weight426.24 g/mol
Exact Mass425.05
IUPAC Name2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NC(c3cccc(Br)c3)C(F)(F)F)nc2n1
InChIInChI=1S/C17H15BrF3N5/c1-8-6-9(2)23-15-12(8)14(22)25-16(26-15)24-13(17(19,20)21)10-4-3-5-11(18)7-10/h3-7,13H,1-2H3,(H3,22,23,24,25,26)
InChIKeyLSGFZXKAZQPKDK-UHFFFAOYSA-N
XLogP4.70
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.24
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

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
2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671441
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
CID 143295079
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914
1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62395894
1-(3-bromophenyl)-2,2,2-trifluoroethanol
CID 23423062
4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986912
1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914390
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
N-[1-(3-bromophenyl)ethyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562409

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 177147620) is 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(C)c2c(N)nc(NC(c3cccc(Br)c3)C(F)(F)F)nc2n1.
What is the InChIKey of 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is LSGFZXKAZQPKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3N5/c1-8-6-9(2)23-15-12(8)14(22)25-16(26-15)24-13(17(19,20)21)10-4-3-5-11(18)7-10/h3-7,13H,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 426.24 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3-bromophenyl)-2,2,2-trifluoroethyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 177147620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).