2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone

C12H17N3O2S — CID 695461

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1cc(C)nc(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O2S/c1-9-7-10(2)14-12(13-9)18-8-11(16)15-3-5-17-6-4-15/h7H,3-6,8H2,1-2H3
InChIKeyRZIHRSFFFIGSMO-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.04
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 695461) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID695461
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1cc(C)nc(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O2S/c1-9-7-10(2)14-12(13-9)18-8-11(16)15-3-5-17-6-4-15/h7H,3-6,8H2,1-2H3
InChIKeyRZIHRSFFFIGSMO-UHFFFAOYSA-N
XLogP1.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-ethylpropanamide
CID 6483849
4-(4,6-Dimethylpyrimidin-2-yl)morpholine
CID 676802
Methyl 2-{[4-methyl-6-(morpholin-4-YL)pyrimidin-2-YL]sulfanyl}acetate
CID 2147954
(4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester
CID 2179971
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 4335113
1-(2,6-Dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one
CID 5166984
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 757646
N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2496710
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone (CID 695461) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone is Cc1cc(C)nc(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is RZIHRSFFFIGSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-7-10(2)14-12(13-9)18-8-11(16)15-3-5-17-6-4-15/h7H,3-6,8H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 695461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).