5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine

C10H16ClN3O2S2 — CID 80883328

IUPAC5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(SCCS(C)(=O)=O)n1
InChIInChI=1S/C10H16ClN3O2S2/c1-3-4-12-10-13-7-8(11)9(14-10)17-5-6-18(2,15)16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyLFJNFZKELKQGRD-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.09
Rot. Bonds7

About 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine

5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine (PubChem CID 80883328) has the molecular formula C10H16ClN3O2S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
PubChem CID80883328
Molecular FormulaC10H16ClN3O2S2
Molecular Weight309.84 g/mol
Exact Mass309.04
IUPAC Name5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(SCCS(C)(=O)=O)n1
InChIInChI=1S/C10H16ClN3O2S2/c1-3-4-12-10-13-7-8(11)9(14-10)17-5-6-18(2,15)16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyLFJNFZKELKQGRD-UHFFFAOYSA-N
XLogP2.09
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
CID 79633255
2-[5-chloro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethylacetamide
CID 114235213
5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886409
5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
CID 80883437
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
5-chloro-2-N-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 80811591
6-(2-methylsulfonylethylsulfanyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80883829
5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80884181
5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
CID 79072549
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 114001357

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine (CID 80883328) is 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(SCCS(C)(=O)=O)n1.
What is the InChIKey of 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine?
The InChIKey is LFJNFZKELKQGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S2/c1-3-4-12-10-13-7-8(11)9(14-10)17-5-6-18(2,15)16/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine?
5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine has a molecular weight of 309.84 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80883328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).