5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

C16H18N4O4S — CID 121026137

IUPAC5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)N1CCN(C(=O)c2c[nH]c(=O)n(Cc3cccs3)c2=O)CC1
InChIInChI=1S/C16H18N4O4S/c1-11(21)18-4-6-19(7-5-18)14(22)13-9-17-16(24)20(15(13)23)10-12-3-2-8-25-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,24)
InChIKeyBOUDKFGUPLSFPK-UHFFFAOYSA-N
MW362.41 g/mol
LogP-0.05
Rot. Bonds3

About 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 121026137) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID121026137
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)N1CCN(C(=O)c2c[nH]c(=O)n(Cc3cccs3)c2=O)CC1
InChIInChI=1S/C16H18N4O4S/c1-11(21)18-4-6-19(7-5-18)14(22)13-9-17-16(24)20(15(13)23)10-12-3-2-8-25-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,24)
InChIKeyBOUDKFGUPLSFPK-UHFFFAOYSA-N
XLogP-0.05
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025993
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026015
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 71778396
5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026156
N-(2,6-dichlorophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026295
N-(4-ethylphenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026084
N-[(4-methylphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026068
N-(3-methyl-1,2-oxazol-5-yl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 71778401
N-[(2-fluorophenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026233
N-(2-fluorophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026025
N-(2,2-diethoxyethyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025987

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 121026137) is 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is CC(=O)N1CCN(C(=O)c2c[nH]c(=O)n(Cc3cccs3)c2=O)CC1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is BOUDKFGUPLSFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-11(21)18-4-6-19(7-5-18)14(22)13-9-17-16(24)20(15(13)23)10-12-3-2-8-25-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,24).
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 362.41 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121026137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).