2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide

C11H17N3O2S — CID 135561859

IUPAC2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-4-5-12-9(15)6-17-11-13-8(3)7(2)10(16)14-11/h4-6H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyXGLZHGHDNMFGCF-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.01
Rot. Bonds5

About 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide

2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide (PubChem CID 135561859) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
PubChem CID135561859
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-4-5-12-9(15)6-17-11-13-8(3)7(2)10(16)14-11/h4-6H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyXGLZHGHDNMFGCF-UHFFFAOYSA-N
XLogP1.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135427414
N-Cyclohexyl-2-(5,6-dimethyl-4-oxo-1,4-dihydro-pyrimidin-2-ylsulfanyl)-acetamide
CID 135517950
N-Cyclopentyl-2-(5-ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135546304
2-((2-(azepan-1-yl)-2-oxoethyl)thio)-5,6-dimethylpyrimidin-4(3H)-one
CID 135561779
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 136059390
2-((4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135416101
N,N-diethyl-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetamide
CID 135426208
2-[(5-Ethyl-4-hydroxy-6-methylpyrimidin-2-YL)sulfanyl]-N,N-diisopropylacetamide
CID 135442433
2-((4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-propylacetamide
CID 135561596
5,6-dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561777
5,6-dimethyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561778
2-((4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-isopropylacetamide
CID 135561860

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide (CID 135561859) is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The InChIKey is XGLZHGHDNMFGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-4-5-12-9(15)6-17-11-13-8(3)7(2)10(16)14-11/h4-6H2,1-3H3,(H,12,15)(H,13,14,16).
What are the key properties of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide has a molecular weight of 255.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 135561859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).