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

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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).