4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

C8H9F3N4OS — CID 142557253

IUPAC4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCC(F)(F)F)c(N)n1
InChIInChI=1S/C8H9F3N4OS/c1-17-7-13-2-4(5(12)15-7)6(16)14-3-8(9,10)11/h2H,3H2,1H3,(H,14,16)(H2,12,13,15)
InChIKeyVURJKSWTWADMKQ-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.07
Rot. Bonds3

About 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (PubChem CID 142557253) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
PubChem CID142557253
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC Name4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCC(F)(F)F)c(N)n1
InChIInChI=1S/C8H9F3N4OS/c1-17-7-13-2-4(5(12)15-7)6(16)14-3-8(9,10)11/h2H,3H2,1H3,(H,14,16)(H2,12,13,15)
InChIKeyVURJKSWTWADMKQ-UHFFFAOYSA-N
XLogP1.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide 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-Amino-2-[(2,2-Dimethylpropyl)amino]pyrimidine-5-Carboxamide
CID 118796829
4-Amino-2-cyclopentylsulfanylpyrimidine-5-carboxamide
CID 70692123
2-(2-Aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
CID 70981182
4-Amino-2-(methylamino)pyrimidine-5-carboxamide
CID 112692990
2,4-Bis(2,2-dimethylpropylamino)pyrimidine-5-carboxamide
CID 172452986
4-(Tert-butylamino)-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide
CID 172454411
7-(Ethylthio)pyrimido[4,5-d]pyrimidin-4(3H)-one
CID 135424359
4-Amino-2-ethylthiopyrimidine-5-carboxylic acid amide
CID 295875
7-Methylpyrimido[4,5-d]pyrimidin-4(3H)-one
CID 135438643
7-(methylthio)pyrimido[4,5-d]pyrimidin-4(3H)-one
CID 135418917
4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde
CID 10607520
N-(1-methylpyrrolidin-3-yl)-2-(methylthio)pyrimidine-5-carboxamide
CID 91779180

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (CID 142557253) is 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is CSc1ncc(C(=O)NCC(F)(F)F)c(N)n1.
What is the InChIKey of 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The InChIKey is VURJKSWTWADMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c1-17-7-13-2-4(5(12)15-7)6(16)14-3-8(9,10)11/h2H,3H2,1H3,(H,14,16)(H2,12,13,15).
What are the key properties of 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 142557253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).