N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide

C18H21N3O3S — CID 74611019

IUPACN-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide
SMILESCOc1cccc(CSC2=NC(=O)C(CC(=O)NC3CC3)C(C)=N2)c1
InChIInChI=1S/C18H21N3O3S/c1-11-15(9-16(22)20-13-6-7-13)17(23)21-18(19-11)25-10-12-4-3-5-14(8-12)24-2/h3-5,8,13,15H,6-7,9-10H2,1-2H3,(H,20,22)
InChIKeyXSRVOTONBTZWHP-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.57
Rot. Bonds6

About N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide

N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide (PubChem CID 74611019) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide
PubChem CID74611019
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide
SMILESCOc1cccc(CSC2=NC(=O)C(CC(=O)NC3CC3)C(C)=N2)c1
InChIInChI=1S/C18H21N3O3S/c1-11-15(9-16(22)20-13-6-7-13)17(23)21-18(19-11)25-10-12-4-3-5-14(8-12)24-2/h3-5,8,13,15H,6-7,9-10H2,1-2H3,(H,20,22)
InChIKeyXSRVOTONBTZWHP-UHFFFAOYSA-N
XLogP2.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
CID 49153739
N-cyclohexyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136615890
N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
CID 74610883
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
2-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601993
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide (CID 74611019) is N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide is COc1cccc(CSC2=NC(=O)C(CC(=O)NC3CC3)C(C)=N2)c1.
What is the InChIKey of N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide?
The InChIKey is XSRVOTONBTZWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11-15(9-16(22)20-13-6-7-13)17(23)21-18(19-11)25-10-12-4-3-5-14(8-12)24-2/h3-5,8,13,15H,6-7,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide?
N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 74611019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).