N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine

C16H14BrF3N4O — CID 141043975

IUPACN-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCN1CC=Cc2cnc(Nc3ccc(OC(F)(F)F)c(Br)c3)nc21
InChIInChI=1S/C16H14BrF3N4O/c1-2-24-7-3-4-10-9-21-15(23-14(10)24)22-11-5-6-13(12(17)8-11)25-16(18,19)20/h3-6,8-9H,2,7H2,1H3,(H,21,22,23)
InChIKeyPMENANBNWKPDJM-UHFFFAOYSA-N
MW415.21 g/mol
LogP4.73
Rot. Bonds4

About N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine

N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141043975) has the molecular formula C16H14BrF3N4O and a molecular weight of 415.21 g/mol. Its IUPAC name is N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141043975
Molecular FormulaC16H14BrF3N4O
Molecular Weight415.21 g/mol
Exact Mass414.03
IUPAC NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCN1CC=Cc2cnc(Nc3ccc(OC(F)(F)F)c(Br)c3)nc21
InChIInChI=1S/C16H14BrF3N4O/c1-2-24-7-3-4-10-9-21-15(23-14(10)24)22-11-5-6-13(12(17)8-11)25-16(18,19)20/h3-6,8-9H,2,7H2,1H3,(H,21,22,23)
InChIKeyPMENANBNWKPDJM-UHFFFAOYSA-N
XLogP4.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.21
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 154452091
8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043845
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrimidine-2,5-diamine
CID 107335782
8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043897
8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70114677
8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70111674
8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043984
3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol
CID 141043898
N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043875
8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043958
3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107336102
N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
CID 107336659

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 141043975) is N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine is CCN1CC=Cc2cnc(Nc3ccc(OC(F)(F)F)c(Br)c3)nc21.
What is the InChIKey of N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is PMENANBNWKPDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N4O/c1-2-24-7-3-4-10-9-21-15(23-14(10)24)22-11-5-6-13(12(17)8-11)25-16(18,19)20/h3-6,8-9H,2,7H2,1H3,(H,21,22,23).
What are the key properties of N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 415.21 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141043975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).