2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide

C12H19N3OS — CID 46402563

IUPAC2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1cc(C)nc(C)n1
InChIInChI=1S/C12H19N3OS/c1-5-6-13-12(16)9(3)17-11-7-8(2)14-10(4)15-11/h7,9H,5-6H2,1-4H3,(H,13,16)
InChIKeyRQZIZNDWAZKMEQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.10
Rot. Bonds5

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

2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide (PubChem CID 46402563) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
PubChem CID46402563
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1cc(C)nc(C)n1
InChIInChI=1S/C12H19N3OS/c1-5-6-13-12(16)9(3)17-11-7-8(2)14-10(4)15-11/h7,9H,5-6H2,1-4H3,(H,13,16)
InChIKeyRQZIZNDWAZKMEQ-UHFFFAOYSA-N
XLogP2.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate
CID 51934014
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 42353231
N-(2,6-difluorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 46435717
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 23611424
(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide
CID 96510593
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
2-(5-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 79141692
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 41095797
(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 27140282

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide (CID 46402563) is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide is CCCNC(=O)C(C)Sc1cc(C)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide?
The InChIKey is RQZIZNDWAZKMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-5-6-13-12(16)9(3)17-11-7-8(2)14-10(4)15-11/h7,9H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide?
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide is sourced from PubChem (CID 46402563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).