2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide

C20H26N4O2S — CID 135402479

IUPAC2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C20H26N4O2S/c1-2-6-16-13-18(25)23-20(22-16)27-14-19(26)21-15-7-9-17(10-8-15)24-11-4-3-5-12-24/h7-10,13H,2-6,11-12,14H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyKPFHYTYTOQDLMF-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.44
Rot. Bonds7

About 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 135402479) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID135402479
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C20H26N4O2S/c1-2-6-16-13-18(25)23-20(22-16)27-14-19(26)21-15-7-9-17(10-8-15)24-11-4-3-5-12-24/h7-10,13H,2-6,11-12,14H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyKPFHYTYTOQDLMF-UHFFFAOYSA-N
XLogP3.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-{[ethyl(4-Fluorophenyl)amino]methyl}-N,2-Dimethyl-5-Oxo-5h-[1,3]thiazolo[3,2-A]pyrimidine-3-Carboxamide
CID 118017587
3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440663
N-methyl-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]-N-phenylacetamide
CID 135460600
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135532255
2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 135406349
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
N-(4-methylphenyl)-2-[(4-oxo-6-propyl-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 135408881
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N,N-diphenylacetamide
CID 1296709

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 135402479) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is KPFHYTYTOQDLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-2-6-16-13-18(25)23-20(22-16)27-14-19(26)21-15-7-9-17(10-8-15)24-11-4-3-5-12-24/h7-10,13H,2-6,11-12,14H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 135402479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).