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

C12H14F3N5S — CID 106771282

IUPAC6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cnc(C)s2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5S/c1-3-16-9-4-10(20-11(19-9)12(13,14)15)18-6-8-5-17-7(2)21-8/h4-5H,3,6H2,1-2H3,(H2,16,18,19,20)
InChIKeyHOZUYFRIOXYCID-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.30
Rot. Bonds5

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

6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771282) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771282
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cnc(C)s2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5S/c1-3-16-9-4-10(20-11(19-9)12(13,14)15)18-6-8-5-17-7(2)21-8/h4-5H,3,6H2,1-2H3,(H2,16,18,19,20)
InChIKeyHOZUYFRIOXYCID-UHFFFAOYSA-N
XLogP3.30
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80960726
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960412
6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771943
2-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80934863
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
6-N-ethyl-4-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773050
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771926
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771282) is 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(NCc2cnc(C)s2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is HOZUYFRIOXYCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-3-16-9-4-10(20-11(19-9)12(13,14)15)18-6-8-5-17-7(2)21-8/h4-5H,3,6H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 317.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).