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

C11H12F3N5S — CID 106772193

IUPAC4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCC(Nc1cc(N)nc(C(F)(F)F)n1)c1nccs1
InChIInChI=1S/C11H12F3N5S/c1-2-6(9-16-3-4-20-9)17-8-5-7(15)18-10(19-8)11(12,13)14/h3-6H,2H2,1H3,(H3,15,17,18,19)
InChIKeyCLUFCZKGQXYNPF-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.10
Rot. Bonds4

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

4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772193) has the molecular formula C11H12F3N5S and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772193
Molecular FormulaC11H12F3N5S
Molecular Weight303.31 g/mol
Exact Mass303.08
IUPAC Name4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCC(Nc1cc(N)nc(C(F)(F)F)n1)c1nccs1
InChIInChI=1S/C11H12F3N5S/c1-2-6(9-16-3-4-20-9)17-8-5-7(15)18-10(19-8)11(12,13)14/h3-6H,2H2,1H3,(H3,15,17,18,19)
InChIKeyCLUFCZKGQXYNPF-UHFFFAOYSA-N
XLogP3.10
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80941375
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
CID 114767731
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80949949
6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine
CID 80845103
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 106772283
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 114157114

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772193) is 4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCC(Nc1cc(N)nc(C(F)(F)F)n1)c1nccs1.
What is the InChIKey of 4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is CLUFCZKGQXYNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5S/c1-2-6(9-16-3-4-20-9)17-8-5-7(15)18-10(19-8)11(12,13)14/h3-6H,2H2,1H3,(H3,15,17,18,19).
What are the key properties of 4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 303.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).