6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine

C19H13F3N6 — CID 11280496

IUPAC6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1ccc2cccnc2c1
InChIInChI=1S/C19H13F3N6/c20-19(21,22)13-5-6-15(25-9-13)28-18-16(23)17(26-10-27-18)12-4-3-11-2-1-7-24-14(11)8-12/h1-10H,23H2,(H,25,26,27,28)
InChIKeyJIVNHVCRFMSWED-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.43
Rot. Bonds3

About 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine

6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine (PubChem CID 11280496) has the molecular formula C19H13F3N6 and a molecular weight of 382.35 g/mol. Its IUPAC name is 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
PubChem CID11280496
Molecular FormulaC19H13F3N6
Molecular Weight382.35 g/mol
Exact Mass382.12
IUPAC Name6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1ccc2cccnc2c1
InChIInChI=1S/C19H13F3N6/c20-19(21,22)13-5-6-15(25-9-13)28-18-16(23)17(26-10-27-18)12-4-3-11-2-1-7-24-14(11)8-12/h1-10H,23H2,(H,25,26,27,28)
InChIKeyJIVNHVCRFMSWED-UHFFFAOYSA-N
XLogP4.43
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-quinolin-7-yl-4-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
CID 11748887
5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine
CID 11699501
5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 11395317
5-methyl-6-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;7-[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]-1H-quinolin-4-one
CID 87929952
benzenesulfonic acid;6-(3-fluoroquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 11497729
7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
CID 46203537
2-(morpholin-4-ylmethyl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 11751668
2-tert-butyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11419180
benzenesulfonic acid;5-methyl-6-(1,8-naphthyridin-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 11620841
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
benzenesulfonic acid;6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 11570451
7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
CID 58645530

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine (CID 11280496) is 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine is Nc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1ccc2cccnc2c1.
What is the InChIKey of 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine?
The InChIKey is JIVNHVCRFMSWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6/c20-19(21,22)13-5-6-15(25-9-13)28-18-16(23)17(26-10-27-18)12-4-3-11-2-1-7-24-14(11)8-12/h1-10H,23H2,(H,25,26,27,28).
What are the key properties of 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine?
6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine has a molecular weight of 382.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 11280496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).