2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide

C12H17N7OS — CID 118767272

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)NCCc2nn[nH]n2)n1
InChIInChI=1S/C12H17N7OS/c1-7-6-8(2)15-12(14-7)21-9(3)11(20)13-5-4-10-16-18-19-17-10/h6,9H,4-5H2,1-3H3,(H,13,20)(H,16,17,18,19)
InChIKeyKQFSRLWEGWKBPR-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.45
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 118767272) has the molecular formula C12H17N7OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID118767272
Molecular FormulaC12H17N7OS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)NCCc2nn[nH]n2)n1
InChIInChI=1S/C12H17N7OS/c1-7-6-8(2)15-12(14-7)21-9(3)11(20)13-5-4-10-16-18-19-17-10/h6,9H,4-5H2,1-3H3,(H,13,20)(H,16,17,18,19)
InChIKeyKQFSRLWEGWKBPR-UHFFFAOYSA-N
XLogP0.45
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 118784213
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
CID 118766874
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(2R)-2-phenylpropyl]propanamide
CID 8731155
(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide
CID 96510593
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 975208
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 23743258
(2S)-N-(4-bromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 1132604
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
CID 60665444
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide (CID 118767272) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide is Cc1cc(C)nc(SC(C)C(=O)NCCc2nn[nH]n2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is KQFSRLWEGWKBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7OS/c1-7-6-8(2)15-12(14-7)21-9(3)11(20)13-5-4-10-16-18-19-17-10/h6,9H,4-5H2,1-3H3,(H,13,20)(H,16,17,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 307.38 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 118767272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).