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

C18H18F4N4 — CID 141043845

IUPAC8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCCCN1CC=Cc2cnc(Nc3ccc(F)c(C(F)(F)F)c3)nc21
InChIInChI=1S/C18H18F4N4/c1-2-3-8-26-9-4-5-12-11-23-17(25-16(12)26)24-13-6-7-15(19)14(10-13)18(20,21)22/h4-7,10-11H,2-3,8-9H2,1H3,(H,23,24,25)
InChIKeyXXSKPUMMSSAEIJ-UHFFFAOYSA-N
MW366.36 g/mol
LogP5.01
Rot. Bonds5

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

8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141043845) has the molecular formula C18H18F4N4 and a molecular weight of 366.36 g/mol. Its IUPAC name is 8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141043845
Molecular FormulaC18H18F4N4
Molecular Weight366.36 g/mol
Exact Mass366.15
IUPAC Name8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCCCN1CC=Cc2cnc(Nc3ccc(F)c(C(F)(F)F)c3)nc21
InChIInChI=1S/C18H18F4N4/c1-2-3-8-26-9-4-5-12-11-23-17(25-16(12)26)24-13-6-7-15(19)14(10-13)18(20,21)22/h4-7,10-11H,2-3,8-9H2,1H3,(H,23,24,25)
InChIKeyXXSKPUMMSSAEIJ-UHFFFAOYSA-N
XLogP5.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043984
N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 154452091
N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043975
8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70111674
8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043897
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-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70114677
8-butyl-2-[4-chloro-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10157613
8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043958
5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine
CID 156768854
1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106563760

Frequently Asked Questions

What is the IUPAC name of 8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 141043845) is 8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine is CCCCN1CC=Cc2cnc(Nc3ccc(F)c(C(F)(F)F)c3)nc21.
What is the InChIKey of 8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is XXSKPUMMSSAEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4/c1-2-3-8-26-9-4-5-12-11-23-17(25-16(12)26)24-13-6-7-15(19)14(10-13)18(20,21)22/h4-7,10-11H,2-3,8-9H2,1H3,(H,23,24,25).
What are the key properties of 8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine?
8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 366.36 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141043845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).