2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine

C14H17N3O2S2 — CID 80939328

IUPAC2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Sc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H17N3O2S2/c1-4-12-16-13(15-2)9-14(17-12)20-10-5-7-11(8-6-10)21(3,18)19/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyKRQOVMOEBDSUML-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.64
Rot. Bonds5

About 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine

2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine (PubChem CID 80939328) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
PubChem CID80939328
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Sc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H17N3O2S2/c1-4-12-16-13(15-2)9-14(17-12)20-10-5-7-11(8-6-10)21(3,18)19/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyKRQOVMOEBDSUML-UHFFFAOYSA-N
XLogP2.64
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine 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

2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80939312
N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80888556
6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80949638
N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
CID 80942803
2-ethyl-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 80937646
2-ethyl-N-methyl-6-propylsulfanylpyrimidin-4-amine
CID 80937028
2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 80937261
6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937330
6-(1,3-benzothiazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937180
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 80545818
2-ethyl-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104605016
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
CID 63836085

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine (CID 80939328) is 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine is CCc1nc(NC)cc(Sc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is KRQOVMOEBDSUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-4-12-16-13(15-2)9-14(17-12)20-10-5-7-11(8-6-10)21(3,18)19/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine?
2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine has a molecular weight of 323.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80939328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).