5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine

C19H13F3N6 — CID 11699501

IUPAC5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(C(F)(F)F)nn2)ncnc1-c1ccc2cccnc2c1
InChIInChI=1S/C19H13F3N6/c1-11-17(13-5-4-12-3-2-8-23-14(12)9-13)24-10-25-18(11)26-16-7-6-15(27-28-16)19(20,21)22/h2-10H,1H3,(H,24,25,26,28)
InChIKeyZJHKBZXDSLNGRV-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.55
Rot. Bonds3

About 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine

5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine (PubChem CID 11699501) has the molecular formula C19H13F3N6 and a molecular weight of 382.35 g/mol. Its IUPAC name is 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine
PubChem CID11699501
Molecular FormulaC19H13F3N6
Molecular Weight382.35 g/mol
Exact Mass382.12
IUPAC Name5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(C(F)(F)F)nn2)ncnc1-c1ccc2cccnc2c1
InChIInChI=1S/C19H13F3N6/c1-11-17(13-5-4-12-3-2-8-23-14(12)9-13)24-10-25-18(11)26-16-7-6-15(27-28-16)19(20,21)22/h2-10H,1H3,(H,24,25,26,28)
InChIKeyZJHKBZXDSLNGRV-UHFFFAOYSA-N
XLogP4.55
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine (CID 11699501) is 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine is Cc1c(Nc2ccc(C(F)(F)F)nn2)ncnc1-c1ccc2cccnc2c1.
What is the InChIKey of 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine?
The InChIKey is ZJHKBZXDSLNGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6/c1-11-17(13-5-4-12-3-2-8-23-14(12)9-13)24-10-25-18(11)26-16-7-6-15(27-28-16)19(20,21)22/h2-10H,1H3,(H,24,25,26,28).
What are the key properties of 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine?
5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine has a molecular weight of 382.35 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 11699501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).