4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

C15H13F3N6O — CID 22540429

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)no1
InChIInChI=1S/C15H13F3N6O/c1-8-6-11(24-25-8)23-14-12(19)13(20-7-21-14)22-10-5-3-2-4-9(10)15(16,17)18/h2-7H,19H2,1H3,(H2,20,21,22,23,24)
InChIKeyDOBZJEIEOYRPAC-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.86
Rot. Bonds4

About 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 22540429) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID22540429
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)no1
InChIInChI=1S/C15H13F3N6O/c1-8-6-11(24-25-8)23-14-12(19)13(20-7-21-14)22-10-5-3-2-4-9(10)15(16,17)18/h2-7H,19H2,1H3,(H2,20,21,22,23,24)
InChIKeyDOBZJEIEOYRPAC-UHFFFAOYSA-N
XLogP3.86
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 22540429) is 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is Cc1cc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)no1.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is DOBZJEIEOYRPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c1-8-6-11(24-25-8)23-14-12(19)13(20-7-21-14)22-10-5-3-2-4-9(10)15(16,17)18/h2-7H,19H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 350.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).