N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide

C19H25N3O2S — CID 135415543

IUPACN-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H25N3O2S/c1-4-8-16-11-17(23)21-19(20-16)25-13-18(24)22(14(2)3)12-15-9-6-5-7-10-15/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H,20,21,23)
InChIKeyABMIXYHMUMERIL-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.25
Rot. Bonds8

About N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide

N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 135415543) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID135415543
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H25N3O2S/c1-4-8-16-11-17(23)21-19(20-16)25-13-18(24)22(14(2)3)12-15-9-6-5-7-10-15/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H,20,21,23)
InChIKeyABMIXYHMUMERIL-UHFFFAOYSA-N
XLogP3.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Allylthio)-6-benzyl-5-methylpyrimidin-4(3H)-one
CID 135924221
2-(methylthio)-6-phenylpyrimidin-4(3H)-one
CID 135408535
N,N-diethyl-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135405931
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 135525771
7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853372
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
5-(1-Butyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470251
6-Benzyl-2-(butan-2-ylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402792
2-(ethylthio)-6-phenyl-1H-pyrimidin-4-one
CID 135406353

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (CID 135415543) is N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide is CCCc1cc(=O)[nH]c(SCC(=O)N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is ABMIXYHMUMERIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-4-8-16-11-17(23)21-19(20-16)25-13-18(24)22(14(2)3)12-15-9-6-5-7-10-15/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H,20,21,23).
What are the key properties of N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 359.50 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 135415543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).