N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine

C19H14ClF3N4 — CID 112902288

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Cl)c(Nc2ccnc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C19H14ClF3N4/c20-14-6-5-13(19(21,22)23)11-15(14)25-17-7-9-24-18(26-17)27-10-8-12-3-1-2-4-16(12)27/h1-7,9,11H,8,10H2,(H,24,25,26)
InChIKeyCPTSTQMZOGCPEI-UHFFFAOYSA-N
MW390.80 g/mol
LogP5.59
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112902288) has the molecular formula C19H14ClF3N4 and a molecular weight of 390.80 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112902288
Molecular FormulaC19H14ClF3N4
Molecular Weight390.80 g/mol
Exact Mass390.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Cl)c(Nc2ccnc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C19H14ClF3N4/c20-14-6-5-13(19(21,22)23)11-15(14)25-17-7-9-24-18(26-17)27-10-8-12-3-1-2-4-16(12)27/h1-7,9,11H,8,10H2,(H,24,25,26)
InChIKeyCPTSTQMZOGCPEI-UHFFFAOYSA-N
XLogP5.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.80
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112902414
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112902403
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80926807
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112891691
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112897064
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112902442
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 53408255
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867399
N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 175834541
2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride
CID 12519123
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109314579

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112902288) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine is FC(F)(F)c1ccc(Cl)c(Nc2ccnc(N3CCc4ccccc43)n2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is CPTSTQMZOGCPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4/c20-14-6-5-13(19(21,22)23)11-15(14)25-17-7-9-24-18(26-17)27-10-8-12-3-1-2-4-16(12)27/h1-7,9,11H,8,10H2,(H,24,25,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 390.80 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112902288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).