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

C14H17N3O2S2 — CID 80888556

IUPACN-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(S(C)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C14H17N3O2S2/c1-4-15-13-9-14(17-10(2)16-13)20-11-5-7-12(8-6-11)21(3,18)19/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyXCJWWGBJSURFSH-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.77
Rot. Bonds5

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

N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine (PubChem CID 80888556) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
PubChem CID80888556
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(S(C)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C14H17N3O2S2/c1-4-15-13-9-14(17-10(2)16-13)20-11-5-7-12(8-6-11)21(3,18)19/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyXCJWWGBJSURFSH-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80939328
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894982
6-(4-tert-butylphenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893059
N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80893372
3-[6-(ethylamino)-2-methylpyrimidin-4-yl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785263
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 80545818
N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720227
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 121074792
[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine
CID 80930601

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine (CID 80888556) is N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine is CCNc1cc(Sc2ccc(S(C)(=O)=O)cc2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is XCJWWGBJSURFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-4-15-13-9-14(17-10(2)16-13)20-11-5-7-12(8-6-11)21(3,18)19/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine?
N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine has a molecular weight of 323.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80888556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).