4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C20H15F3N4 — CID 175832958

IUPAC4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)c2ccccc21
InChIInChI=1S/C20H15F3N4/c1-27-12-16(15-7-2-3-8-18(15)27)17-9-10-24-19(26-17)25-14-6-4-5-13(11-14)20(21,22)23/h2-12H,1H3,(H,24,25,26)
InChIKeyNWXMRKLRJDWSGQ-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.40
Rot. Bonds3

About 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 175832958) has the molecular formula C20H15F3N4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID175832958
Molecular FormulaC20H15F3N4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)c2ccccc21
InChIInChI=1S/C20H15F3N4/c1-27-12-16(15-7-2-3-8-18(15)27)17-9-10-24-19(26-17)25-14-6-4-5-13(11-14)20(21,22)23/h2-12H,1H3,(H,24,25,26)
InChIKeyNWXMRKLRJDWSGQ-UHFFFAOYSA-N
XLogP5.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-4-[9-(2-trimethylsilylethoxymethyl)carbazol-1-yl]pyrimidin-2-amine
CID 162537517
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
3-methyl-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
CID 154464004
5-methoxy-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
CID 129143628
3-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]phenol
CID 170970775
5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 170970744
4-[1-(3-aminopropyl)indol-3-yl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine
CID 19966948
3-[[4-[1-(2-phenylethyl)indol-3-yl]pyrimidin-2-yl]amino]phenol
CID 174614684
4-(1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 46926516
N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
CID 10413636
5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,2-oxazole-3-carboxylic acid
CID 129318040
4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 142660390

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 175832958) is 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is Cn1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)c2ccccc21.
What is the InChIKey of 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is NWXMRKLRJDWSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4/c1-27-12-16(15-7-2-3-8-18(15)27)17-9-10-24-19(26-17)25-14-6-4-5-13(11-14)20(21,22)23/h2-12H,1H3,(H,24,25,26).
What are the key properties of 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 368.36 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 175832958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).