3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide

C11H17N3OS — CID 6483849

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1nc(C)cc(C)n1
InChIInChI=1S/C11H17N3OS/c1-4-12-10(15)5-6-16-11-13-8(2)7-9(3)14-11/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyOKVNFAWNIOMUME-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.71
Rot. Bonds5

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide (PubChem CID 6483849) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide
PubChem CID6483849
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1nc(C)cc(C)n1
InChIInChI=1S/C11H17N3OS/c1-4-12-10(15)5-6-16-11-13-8(2)7-9(3)14-11/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyOKVNFAWNIOMUME-UHFFFAOYSA-N
XLogP1.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide
CID 668161
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
Pyrimidin-2-amine, 15
CID 44220304
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 663032
6-Amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2419546
N-(5-methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 2976289
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 2772852
N-Cyclohexyl-2-(4-methyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 2979066
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 4335113

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide (CID 6483849) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide is CCNC(=O)CCSc1nc(C)cc(C)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide?
The InChIKey is OKVNFAWNIOMUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-12-10(15)5-6-16-11-13-8(2)7-9(3)14-11/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 6483849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).