N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C17H21N5O4S — CID 135468865

IUPACN-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2cc(=O)[nH]c(=O)n2C2CCCCC2)n1
InChIInChI=1S/C17H21N5O4S/c1-10-7-13(23)20-16(18-10)27-9-15(25)19-12-8-14(24)21-17(26)22(12)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,19,25)(H,18,20,23)(H,21,24,26)
InChIKeyJLQNQOWLZPXPGU-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.16
Rot. Bonds5

About N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135468865) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135468865
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2cc(=O)[nH]c(=O)n2C2CCCCC2)n1
InChIInChI=1S/C17H21N5O4S/c1-10-7-13(23)20-16(18-10)27-9-15(25)19-12-8-14(24)21-17(26)22(12)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,19,25)(H,18,20,23)(H,21,24,26)
InChIKeyJLQNQOWLZPXPGU-UHFFFAOYSA-N
XLogP1.16
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135468829
N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 6405497
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135412196
N-(2,6-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464045
N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135481691
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135516043
N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135778451
N-(2,4-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135399216
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(2-methylpropyl)phenyl]acetamide
CID 135461502
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135421456
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 135399372
N-[2-methyl-4-[[3-methyl-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135795841

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135468865) is N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(=O)[nH]c(=O)n2C2CCCCC2)n1.
What is the InChIKey of N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is JLQNQOWLZPXPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-10-7-13(23)20-16(18-10)27-9-15(25)19-12-8-14(24)21-17(26)22(12)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,19,25)(H,18,20,23)(H,21,24,26).
What are the key properties of N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135468865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).