4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H19F3N4S — CID 106772999

IUPAC4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(C)SC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4S/c1-4-5-16-9-6-10(17-7-8(2)20-3)19-11(18-9)12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyMBVDIAYRZFXLII-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.48
Rot. Bonds7

About 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772999) has the molecular formula C12H19F3N4S and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772999
Molecular FormulaC12H19F3N4S
Molecular Weight308.37 g/mol
Exact Mass308.13
IUPAC Name4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(C)SC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4S/c1-4-5-16-9-6-10(17-7-8(2)20-3)19-11(18-9)12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyMBVDIAYRZFXLII-UHFFFAOYSA-N
XLogP3.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174
2-N-ethyl-6-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719235
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479
N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106770681

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772999) is 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCCNc1cc(NCC(C)SC)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is MBVDIAYRZFXLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4S/c1-4-5-16-9-6-10(17-7-8(2)20-3)19-11(18-9)12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 308.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).