4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

C17H15F3N6 — CID 22542257

IUPAC4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)n1
InChIInChI=1S/C17H15F3N6/c1-10-5-4-8-13(24-10)26-16-14(21)15(22-9-23-16)25-12-7-3-2-6-11(12)17(18,19)20/h2-9H,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyGHZMZZXKOZYJDO-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.27
Rot. Bonds4

About 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 22542257) has the molecular formula C17H15F3N6 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID22542257
Molecular FormulaC17H15F3N6
Molecular Weight360.34 g/mol
Exact Mass360.13
IUPAC Name4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)n1
InChIInChI=1S/C17H15F3N6/c1-10-5-4-8-13(24-10)26-16-14(21)15(22-9-23-16)25-12-7-3-2-6-11(12)17(18,19)20/h2-9H,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyGHZMZZXKOZYJDO-UHFFFAOYSA-N
XLogP4.27
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 22542257) is 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)n1.
What is the InChIKey of 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is GHZMZZXKOZYJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6/c1-10-5-4-8-13(24-10)26-16-14(21)15(22-9-23-16)25-12-7-3-2-6-11(12)17(18,19)20/h2-9H,21H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 360.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).