5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C12H14F3N5S — CID 143946452

IUPAC5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCCc1cnc(-c2c(C)nc(NCC(F)(F)F)nc2N)s1
InChIInChI=1S/C12H14F3N5S/c1-3-7-4-17-10(21-7)8-6(2)19-11(20-9(8)16)18-5-12(13,14)15/h4H,3,5H2,1-2H3,(H3,16,18,19,20)
InChIKeyGMGDEDACMWCIHS-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.03
Rot. Bonds4

About 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 143946452) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID143946452
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCCc1cnc(-c2c(C)nc(NCC(F)(F)F)nc2N)s1
InChIInChI=1S/C12H14F3N5S/c1-3-7-4-17-10(21-7)8-6(2)19-11(20-9(8)16)18-5-12(13,14)15/h4H,3,5H2,1-2H3,(H3,16,18,19,20)
InChIKeyGMGDEDACMWCIHS-UHFFFAOYSA-N
XLogP3.03
TPSA76.72 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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 143946452) is 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is CCc1cnc(-c2c(C)nc(NCC(F)(F)F)nc2N)s1.
What is the InChIKey of 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is GMGDEDACMWCIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-3-7-4-17-10(21-7)8-6(2)19-11(20-9(8)16)18-5-12(13,14)15/h4H,3,5H2,1-2H3,(H3,16,18,19,20).
What are the key properties of 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 317.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1,3-thiazol-2-yl)-6-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 143946452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).