8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine

C19H18F4N4 — CID 141043984

IUPAC8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESFc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC=C3)cc1C(F)(F)F
InChIInChI=1S/C19H18F4N4/c20-16-8-7-13(10-15(16)19(21,22)23)25-18-24-11-12-4-3-9-27(17(12)26-18)14-5-1-2-6-14/h3-4,7-8,10-11,14H,1-2,5-6,9H2,(H,24,25,26)
InChIKeyFMQXXZWOTDBDLW-UHFFFAOYSA-N
MW378.37 g/mol
LogP5.15
Rot. Bonds3

About 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine

8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141043984) has the molecular formula C19H18F4N4 and a molecular weight of 378.37 g/mol. Its IUPAC name is 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141043984
Molecular FormulaC19H18F4N4
Molecular Weight378.37 g/mol
Exact Mass378.15
IUPAC Name8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESFc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC=C3)cc1C(F)(F)F
InChIInChI=1S/C19H18F4N4/c20-16-8-7-13(10-15(16)19(21,22)23)25-18-24-11-12-4-3-9-27(17(12)26-18)14-5-1-2-6-14/h3-4,7-8,10-11,14H,1-2,5-6,9H2,(H,24,25,26)
InChIKeyFMQXXZWOTDBDLW-UHFFFAOYSA-N
XLogP5.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.37
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043845
4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]-2-nitrophenol
CID 141043970
N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043975
5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine
CID 156768854
8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043897
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853
1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol
CID 155399129
3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol
CID 141043898
1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine
CID 10127168
N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043875
1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine
CID 106563755
1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine
CID 154449672

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 141043984) is 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine is Fc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC=C3)cc1C(F)(F)F.
What is the InChIKey of 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is FMQXXZWOTDBDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4/c20-16-8-7-13(10-15(16)19(21,22)23)25-18-24-11-12-4-3-9-27(17(12)26-18)14-5-1-2-6-14/h3-4,7-8,10-11,14H,1-2,5-6,9H2,(H,24,25,26).
What are the key properties of 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine?
8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 378.37 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141043984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).