2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one

C15H24N4O2S — CID 135571614

IUPAC2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN1CCN(C(=O)CSc2nc(C(C)C)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H24N4O2S/c1-4-18-5-7-19(8-6-18)14(21)10-22-15-16-12(11(2)3)9-13(20)17-15/h9,11H,4-8,10H2,1-3H3,(H,16,17,20)
InChIKeyKEGVXSRHZJESCD-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one

2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135571614) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135571614
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN1CCN(C(=O)CSc2nc(C(C)C)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H24N4O2S/c1-4-18-5-7-19(8-6-18)14(21)10-22-15-16-12(11(2)3)9-13(20)17-15/h9,11H,4-8,10H2,1-3H3,(H,16,17,20)
InChIKeyKEGVXSRHZJESCD-UHFFFAOYSA-N
XLogP1.15
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 169040529
2-[2-[(3S)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 169040518
ethyl 4-[2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
CID 135561508
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135421456
4-ethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135561505
pentyl 2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 136684934
2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 136684700
N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135491368
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135413053
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 146025316
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136684850
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135580130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one (CID 135571614) is 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one is CCN1CCN(C(=O)CSc2nc(C(C)C)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KEGVXSRHZJESCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-4-18-5-7-19(8-6-18)14(21)10-22-15-16-12(11(2)3)9-13(20)17-15/h9,11H,4-8,10H2,1-3H3,(H,16,17,20).
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one?
2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 324.45 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135571614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).