N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H14F3N5 — CID 165034557

IUPACN-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1
InChIInChI=1S/C15H14F3N5/c1-2-11(9-4-3-5-19-6-9)23-14-12-10(15(16,17)18)7-20-13(12)21-8-22-14/h3-8,11H,2H2,1H3,(H2,20,21,22,23)
InChIKeyYJAYCUWXOOSFCZ-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.93
Rot. Bonds4

About N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165034557) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID165034557
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC NameN-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1
InChIInChI=1S/C15H14F3N5/c1-2-11(9-4-3-5-19-6-9)23-14-12-10(15(16,17)18)7-20-13(12)21-8-22-14/h3-8,11H,2H2,1H3,(H2,20,21,22,23)
InChIKeyYJAYCUWXOOSFCZ-UHFFFAOYSA-N
XLogP3.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187568
N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151906166
N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187420
N-(pyrimidin-4-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187541
5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine
CID 97187439
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine
CID 15713601
3-fluoro-2-methyl-N-(1-pyridin-3-ylpropyl)-1,5-naphthyridin-4-amine
CID 170942620
5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-3-ylpropyl)pyrimidine-2,4-diamine
CID 68603037
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-3-ylpropyl)pyrimidine-2,4-diamine
CID 68603118
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165034557) is N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCC(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YJAYCUWXOOSFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5/c1-2-11(9-4-3-5-19-6-9)23-14-12-10(15(16,17)18)7-20-13(12)21-8-22-14/h3-8,11H,2H2,1H3,(H2,20,21,22,23).
What are the key properties of N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 321.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165034557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).