4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C10H10F3N5S — CID 106771484

IUPAC4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cscn1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S/c1-18(3-6-4-19-5-15-6)8-2-7(14)16-9(17-8)10(11,12)13/h2,4-5H,3H2,1H3,(H2,14,16,17)
InChIKeyAFKVINKKZODEBQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.17
Rot. Bonds3

About 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771484) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771484
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC Name4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cscn1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S/c1-18(3-6-4-19-5-15-6)8-2-7(14)16-9(17-8)10(11,12)13/h2,4-5H,3H2,1H3,(H2,14,16,17)
InChIKeyAFKVINKKZODEBQ-UHFFFAOYSA-N
XLogP2.17
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771529
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771349
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
2-N,6-N-dimethyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718111
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771038
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771045

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771484) is 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CN(Cc1cscn1)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is AFKVINKKZODEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S/c1-18(3-6-4-19-5-15-6)8-2-7(14)16-9(17-8)10(11,12)13/h2,4-5H,3H2,1H3,(H2,14,16,17).
What are the key properties of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 289.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).