2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C12H14F3N5S — CID 130419730

IUPAC2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2sc(C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C12H14F3N5S/c1-4-16-9-8(12(13,14)15)5-17-11(19-9)20-10-6(2)18-7(3)21-10/h5H,4H2,1-3H3,(H2,16,17,19,20)
InChIKeyUBZNXTNECNECLC-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.74
Rot. Bonds4

About 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 130419730) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID130419730
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2sc(C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C12H14F3N5S/c1-4-16-9-8(12(13,14)15)5-17-11(19-9)20-10-6(2)18-7(3)21-10/h5H,4H2,1-3H3,(H2,16,17,19,20)
InChIKeyUBZNXTNECNECLC-UHFFFAOYSA-N
XLogP3.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 130419730) is 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2sc(C)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UBZNXTNECNECLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-4-16-9-8(12(13,14)15)5-17-11(19-9)20-10-6(2)18-7(3)21-10/h5H,4H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 317.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 130419730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).