2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide

C13H20ClN3OS — CID 114233978

IUPAC2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C13H20ClN3OS/c1-6-15-9(18)7-19-11-8(2)10(14)16-12(17-11)13(3,4)5/h6-7H2,1-5H3,(H,15,18)
InChIKeyCZBRUDPTJYZANY-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide

2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide (PubChem CID 114233978) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide
PubChem CID114233978
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC Name2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C13H20ClN3OS/c1-6-15-9(18)7-19-11-8(2)10(14)16-12(17-11)13(3,4)5/h6-7H2,1-5H3,(H,15,18)
InChIKeyCZBRUDPTJYZANY-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide
CID 114233972
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide
CID 114233982
2-[6-Chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-ylthio]acetamide
CID 86617304
3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 91520760
2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
CID 65668122
2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 80354654
3-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 80969994
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 80975273
2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 80975369
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
CID 80978038
2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
CID 80978126
2-Tert-butyl-4-chloro-6-(3-methoxypropylsulfanyl)-5-methylpyrimidine
CID 80978359

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide?
The IUPAC name of 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide (CID 114233978) is 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide is CCNC(=O)CSc1nc(C(C)(C)C)nc(Cl)c1C.
What is the InChIKey of 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide?
The InChIKey is CZBRUDPTJYZANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-6-15-9(18)7-19-11-8(2)10(14)16-12(17-11)13(3,4)5/h6-7H2,1-5H3,(H,15,18).
What are the key properties of 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide?
2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide has a molecular weight of 301.84 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 114233978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).