2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide

C14H23N3O2S — CID 42739462

IUPAC2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide
SMILESCCC(Sc1nc(C)cc(=O)n1C)C(=O)N(CC)CC
InChIInChI=1S/C14H23N3O2S/c1-6-11(13(19)17(7-2)8-3)20-14-15-10(4)9-12(18)16(14)5/h9,11H,6-8H2,1-5H3
InChIKeyXNOJORDVSOOEDY-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.83
Rot. Bonds6

About 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide (PubChem CID 42739462) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide.

Molecular Properties

Compound Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide
PubChem CID42739462
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide
SMILESCCC(Sc1nc(C)cc(=O)n1C)C(=O)N(CC)CC
InChIInChI=1S/C14H23N3O2S/c1-6-11(13(19)17(7-2)8-3)20-14-15-10(4)9-12(18)16(14)5/h9,11H,6-8H2,1-5H3
InChIKeyXNOJORDVSOOEDY-UHFFFAOYSA-N
XLogP1.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
CID 974720
2-(4-Hydroxy-6-methylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one
CID 135443943
8-methyl-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 3900641
N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
CID 50848343
N,N-diethyl-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetamide
CID 135426208
7-methyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867872
2,7-Dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 12324930
3-Ethyl-6-methyl-2-methylsulfanylpyrimidin-4-one
CID 140183375
2-Ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 142649002
2-ethyl-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 153821933
4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-propan-2-ylbutanamide
CID 3545127
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 4067051

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide?
The IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide (CID 42739462) is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide.
What is the SMILES notation for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide?
The canonical SMILES for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide is CCC(Sc1nc(C)cc(=O)n1C)C(=O)N(CC)CC.
What is the InChIKey of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide?
The InChIKey is XNOJORDVSOOEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-6-11(13(19)17(7-2)8-3)20-14-15-10(4)9-12(18)16(14)5/h9,11H,6-8H2,1-5H3.
What are the key properties of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide?
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide has a molecular weight of 297.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide is sourced from PubChem (CID 42739462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).