1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol

C14H21F3N4OS — CID 133358015

IUPAC1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4OS/c1-4-23-10-5-6-13(10,22)8-18-12-19-9(14(15,16)17)7-11(20-12)21(2)3/h7,10,22H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyHGIFVKDTGYTNPR-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.62
Rot. Bonds6

About 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol

1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol (PubChem CID 133358015) has the molecular formula C14H21F3N4OS and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
PubChem CID133358015
Molecular FormulaC14H21F3N4OS
Molecular Weight350.41 g/mol
Exact Mass350.14
IUPAC Name1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4OS/c1-4-23-10-5-6-13(10,22)8-18-12-19-9(14(15,16)17)7-11(20-12)21(2)3/h7,10,22H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyHGIFVKDTGYTNPR-UHFFFAOYSA-N
XLogP2.62
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The IUPAC name of 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol (CID 133358015) is 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol.
What is the SMILES notation for 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The canonical SMILES for 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol is CCSC1CCC1(O)CNc1nc(N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The InChIKey is HGIFVKDTGYTNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4OS/c1-4-23-10-5-6-13(10,22)8-18-12-19-9(14(15,16)17)7-11(20-12)21(2)3/h7,10,22H,4-6,8H2,1-3H3,(H,18,19,20).
What are the key properties of 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol has a molecular weight of 350.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol is sourced from PubChem (CID 133358015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).