2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide

C18H17N3O3S — CID 6501425

IUPAC2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESCOc1cc(=O)[nH]c(SC(C)C(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H17N3O3S/c1-11(25-18-20-15(22)10-16(21-18)24-2)17(23)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyGFQGRQQOIDBPKP-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.05
Rot. Bonds5

About 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide

2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide (PubChem CID 6501425) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
PubChem CID6501425
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESCOc1cc(=O)[nH]c(SC(C)C(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H17N3O3S/c1-11(25-18-20-15(22)10-16(21-18)24-2)17(23)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyGFQGRQQOIDBPKP-UHFFFAOYSA-N
XLogP3.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 860083
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-propionamide
CID 6501406
2-(6-Methyl-5-oxo-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-N-naphthalen-1-yl-butyramide
CID 135403906
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
CID 135479063
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 135519911
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1307031
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 1379557
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
N-(4-methylphenyl)-2-[(4-oxo-6-propyl-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 135408881
2-(4-Hydroxy-5-isobutyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-indan-5-yl-acetamide
CID 1073941
N~3~-(3,4-dimethylphenyl)-7-methyl-5-oxo-N~2~-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426215

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide (CID 6501425) is 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide is COc1cc(=O)[nH]c(SC(C)C(=O)Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The InChIKey is GFQGRQQOIDBPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11(25-18-20-15(22)10-16(21-18)24-2)17(23)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide has a molecular weight of 355.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 6501425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).