2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one

C19H24N4O3S — CID 135413740

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(C(=O)CSc2nc(C)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O3S/c1-13-14(2)20-19(21-18(13)25)27-12-17(24)23-10-8-22(9-11-23)15-6-4-5-7-16(15)26-3/h4-7H,8-12H2,1-3H3,(H,20,21,25)
InChIKeyNWIPMUFFWFKTIZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.84
Rot. Bonds5

About 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135413740) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135413740
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(C(=O)CSc2nc(C)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O3S/c1-13-14(2)20-19(21-18(13)25)27-12-17(24)23-10-8-22(9-11-23)15-6-4-5-7-16(15)26-3/h4-7H,8-12H2,1-3H3,(H,20,21,25)
InChIKeyNWIPMUFFWFKTIZ-UHFFFAOYSA-N
XLogP1.84
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-Methylurapidil
CID 5640
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-ol
CID 135652704
3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155273
N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135543449
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-thiazolidin-4-one
CID 10571658
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-5,5-dimethyl-thiazolidin-4-one
CID 10595767
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-5-methyl-thiazolidin-4-one
CID 10808722
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155521523
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155522687
2-[4-(3-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155549220
3-(2-methoxyphenyl)-N-phenyl-1,3-thiazinan-2-imine
CID 302451
2-(5-Acetylamino-4,6-dioxo-1,4,5,6-tetrahydro-pyrimidin-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 648719

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one (CID 135413740) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one is COc1ccccc1N1CCN(C(=O)CSc2nc(C)c(C)c(=O)[nH]2)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NWIPMUFFWFKTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-14(2)20-19(21-18(13)25)27-12-17(24)23-10-8-22(9-11-23)15-6-4-5-7-16(15)26-3/h4-7H,8-12H2,1-3H3,(H,20,21,25).
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 388.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135413740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).