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

C14H23N3O2S — CID 42739329

IUPAC2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc(C)cc(=O)n1C
InChIInChI=1S/C14H23N3O2S/c1-5-7-17(8-6-2)13(19)10-20-14-15-11(3)9-12(18)16(14)4/h9H,5-8,10H2,1-4H3
InChIKeyQQDUNYRZADEGFJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.83
Rot. Bonds7

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

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide (PubChem CID 42739329) 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-dipropylacetamide.

Molecular Properties

Compound Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide
PubChem CID42739329
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc(C)cc(=O)n1C
InChIInChI=1S/C14H23N3O2S/c1-5-7-17(8-6-2)13(19)10-20-14-15-11(3)9-12(18)16(14)4/h9H,5-8,10H2,1-4H3
InChIKeyQQDUNYRZADEGFJ-UHFFFAOYSA-N
XLogP1.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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

Ammonium 3-allyl-2-(butylthio)-6-oxo-3,6-dihydropyrimidin-4-olate
CID 16681927
2-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135421456
2-(4-Methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
CID 974720
N,N-diethyl-2-((1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135401674
N,N-diethyl-2-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135420395
3-allyl-2-(ethylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135421752
3-allyl-2-(sec-butylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135458827
2-(butylthio)-1-ethyl-6-hydroxy-4(1H)-pyrimidinone
CID 135420636
2-(4-Hydroxy-6-methylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one
CID 135443943
2-Butylsulfanyl-6-hydroxy-1-prop-2-enylpyrimidin-4-one
CID 135406754
N,N-diethyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135501381
N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135467501

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide?
The IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide (CID 42739329) is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide.
What is the SMILES notation for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide?
The canonical SMILES for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide is CCCN(CCC)C(=O)CSc1nc(C)cc(=O)n1C.
What is the InChIKey of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide?
The InChIKey is QQDUNYRZADEGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-7-17(8-6-2)13(19)10-20-14-15-11(3)9-12(18)16(14)4/h9H,5-8,10H2,1-4H3.
What are the key properties of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide?
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide has a molecular weight of 297.42 g/mol, XLogP of 1.83, 7 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-dipropylacetamide is sourced from PubChem (CID 42739329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).