2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide

C25H37ClN4O2S — CID 5037068

IUPAC2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
SMILESCCc1nc(SCC(=O)NC(C)CCCN(CC)CC)n(C)c(=O)c1Cc1cccc(Cl)c1
InChIInChI=1S/C25H37ClN4O2S/c1-6-22-21(16-19-12-9-13-20(26)15-19)24(32)29(5)25(28-22)33-17-23(31)27-18(4)11-10-14-30(7-2)8-3/h9,12-13,15,18H,6-8,10-11,14,16-17H2,1-5H3,(H,27,31)
InChIKeyBRFSGCSPMFXRMS-UHFFFAOYSA-N
MW493.12 g/mol
LogP4.31
Rot. Bonds13

About 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide

2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide (PubChem CID 5037068) has the molecular formula C25H37ClN4O2S and a molecular weight of 493.12 g/mol. Its IUPAC name is 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
PubChem CID5037068
Molecular FormulaC25H37ClN4O2S
Molecular Weight493.12 g/mol
Exact Mass492.23
IUPAC Name2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
SMILESCCc1nc(SCC(=O)NC(C)CCCN(CC)CC)n(C)c(=O)c1Cc1cccc(Cl)c1
InChIInChI=1S/C25H37ClN4O2S/c1-6-22-21(16-19-12-9-13-20(26)15-19)24(32)29(5)25(28-22)33-17-23(31)27-18(4)11-10-14-30(7-2)8-3/h9,12-13,15,18H,6-8,10-11,14,16-17H2,1-5H3,(H,27,31)
InChIKeyBRFSGCSPMFXRMS-UHFFFAOYSA-N
XLogP4.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.12
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[(3-chlorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 42737717
N-butan-2-yl-2-[3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46925137
2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 42753930
2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 40727739
4-[5-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)butanamide
CID 42738994
N-[(2S)-heptan-2-yl]-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8539792
1-[2-(3-chlorophenyl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999501
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2624250
4-[5-[(3-chlorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]butanamide
CID 42738988
5-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 82846214
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-ylacetamide
CID 78622632
N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide?
The IUPAC name of 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide (CID 5037068) is 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide.
What is the SMILES notation for 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide?
The canonical SMILES for 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide is CCc1nc(SCC(=O)NC(C)CCCN(CC)CC)n(C)c(=O)c1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide?
The InChIKey is BRFSGCSPMFXRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37ClN4O2S/c1-6-22-21(16-19-12-9-13-20(26)15-19)24(32)29(5)25(28-22)33-17-23(31)27-18(4)11-10-14-30(7-2)8-3/h9,12-13,15,18H,6-8,10-11,14,16-17H2,1-5H3,(H,27,31).
What are the key properties of 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide?
2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide has a molecular weight of 493.12 g/mol, XLogP of 4.31, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide is sourced from PubChem (CID 5037068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).