2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine

C15H12F3N7 — CID 141220631

IUPAC2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCc1nc(Nc2cc(N)c(C(F)(F)F)cn2)cc(-c2cncnc2)n1
InChIInChI=1S/C15H12F3N7/c1-8-23-12(9-4-20-7-21-5-9)3-14(24-8)25-13-2-11(19)10(6-22-13)15(16,17)18/h2-7H,1H3,(H3,19,22,23,24,25)
InChIKeyUMQMFBAUPDMOBU-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.98
Rot. Bonds3

About 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine

2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 141220631) has the molecular formula C15H12F3N7 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID141220631
Molecular FormulaC15H12F3N7
Molecular Weight347.30 g/mol
Exact Mass347.11
IUPAC Name2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCc1nc(Nc2cc(N)c(C(F)(F)F)cn2)cc(-c2cncnc2)n1
InChIInChI=1S/C15H12F3N7/c1-8-23-12(9-4-20-7-21-5-9)3-14(24-8)25-13-2-11(19)10(6-22-13)15(16,17)18/h2-7H,1H3,(H3,19,22,23,24,25)
InChIKeyUMQMFBAUPDMOBU-UHFFFAOYSA-N
XLogP2.98
TPSA102.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine (CID 141220631) is 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine is Cc1nc(Nc2cc(N)c(C(F)(F)F)cn2)cc(-c2cncnc2)n1.
What is the InChIKey of 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is UMQMFBAUPDMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N7/c1-8-23-12(9-4-20-7-21-5-9)3-14(24-8)25-13-2-11(19)10(6-22-13)15(16,17)18/h2-7H,1H3,(H3,19,22,23,24,25).
What are the key properties of 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 347.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 141220631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).