4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H15F3N4S — CID 114565509

IUPAC4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(C)(CNc1cc(C(F)(F)F)nc(N)n1)c1cccs1
InChIInChI=1S/C13H15F3N4S/c1-12(2,9-4-3-5-21-9)7-18-10-6-8(13(14,15)16)19-11(17)20-10/h3-6H,7H2,1-2H3,(H3,17,18,19,20)
InChIKeySUOZYXFOAGTLKX-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.53
Rot. Bonds4

About 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565509) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565509
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(C)(CNc1cc(C(F)(F)F)nc(N)n1)c1cccs1
InChIInChI=1S/C13H15F3N4S/c1-12(2,9-4-3-5-21-9)7-18-10-6-8(13(14,15)16)19-11(17)20-10/h3-6H,7H2,1-2H3,(H3,17,18,19,20)
InChIKeySUOZYXFOAGTLKX-UHFFFAOYSA-N
XLogP3.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747925
N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 80528200
3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
5-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528270
1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 80526342
2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine
CID 80852489
4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 80526019
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248871
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
4-N-[(4-methylphenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563927
4-N-[(6-methyl-2-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564857
4-N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565197

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565509) is 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CC(C)(CNc1cc(C(F)(F)F)nc(N)n1)c1cccs1.
What is the InChIKey of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is SUOZYXFOAGTLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c1-12(2,9-4-3-5-21-9)7-18-10-6-8(13(14,15)16)19-11(17)20-10/h3-6H,7H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 316.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).