6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C15H11F3N4OS — CID 42635644

IUPAC6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1nc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cs1
InChIInChI=1S/C15H11F3N4OS/c1-9-21-13(7-24-9)12-6-14(20-8-19-12)22-10-2-4-11(5-3-10)23-15(16,17)18/h2-8H,1H3,(H,19,20,22)
InChIKeyHRCITRRSKGUPIX-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.55
Rot. Bonds4

About 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 42635644) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID42635644
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC Name6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1nc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cs1
InChIInChI=1S/C15H11F3N4OS/c1-9-21-13(7-24-9)12-6-14(20-8-19-12)22-10-2-4-11(5-3-10)23-15(16,17)18/h2-8H,1H3,(H,19,20,22)
InChIKeyHRCITRRSKGUPIX-UHFFFAOYSA-N
XLogP4.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 42635644) is 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Cc1nc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cs1.
What is the InChIKey of 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is HRCITRRSKGUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c1-9-21-13(7-24-9)12-6-14(20-8-19-12)22-10-2-4-11(5-3-10)23-15(16,17)18/h2-8H,1H3,(H,19,20,22).
What are the key properties of 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 352.34 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-thiazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 42635644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).