2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one

C11H13N3O2S — CID 135998670

IUPAC2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2ccon2)n1
InChIInChI=1S/C11H13N3O2S/c1-2-3-8-6-10(15)13-11(12-8)17-7-9-4-5-16-14-9/h4-6H,2-3,7H2,1H3,(H,12,13,15)
InChIKeySAGOIKXPPLHLIN-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.00
Rot. Bonds5

About 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one

2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135998670) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID135998670
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2ccon2)n1
InChIInChI=1S/C11H13N3O2S/c1-2-3-8-6-10(15)13-11(12-8)17-7-9-4-5-16-14-9/h4-6H,2-3,7H2,1H3,(H,12,13,15)
InChIKeySAGOIKXPPLHLIN-UHFFFAOYSA-N
XLogP2.00
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminophenyl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 135933599
4-propyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135763428
2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135893852
2-[2-amino-2-(4-fluorophenyl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136857296
2-[(3-amino-2-bromophenyl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136729336
2-methyl-5-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid
CID 135956699
2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 135435235
2-[3-(dimethylamino)propylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136685058
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135687359
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 137316118
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135413053
4-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135794492

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one (CID 135998670) is 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCc2ccon2)n1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is SAGOIKXPPLHLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-3-8-6-10(15)13-11(12-8)17-7-9-4-5-16-14-9/h4-6H,2-3,7H2,1H3,(H,12,13,15).
What are the key properties of 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 251.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135998670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).