6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione

C18H15Cl2N3O2S — CID 5279997

IUPAC6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1c(Sc2cc(Cl)cc(Cl)c2)n(Cc2ccncc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H15Cl2N3O2S/c1-2-15-16(24)22-18(25)23(10-11-3-5-21-6-4-11)17(15)26-14-8-12(19)7-13(20)9-14/h3-9H,2,10H2,1H3,(H,22,24,25)
InChIKeySNHJFKXQSFFAHJ-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.00
Rot. Bonds5

About 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione

6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 5279997) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID5279997
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1c(Sc2cc(Cl)cc(Cl)c2)n(Cc2ccncc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H15Cl2N3O2S/c1-2-15-16(24)22-18(25)23(10-11-3-5-21-6-4-11)17(15)26-14-8-12(19)7-13(20)9-14/h3-9H,2,10H2,1H3,(H,22,24,25)
InChIKeySNHJFKXQSFFAHJ-UHFFFAOYSA-N
XLogP4.00
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione
CID 15957715
6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
CID 5280006
6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1H-pyrimidine-2,4-dione;6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione
CID 70208313
1-[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]propan-1-ol
CID 139800147
1-(anthracen-9-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione
CID 15957773
5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-ol
CID 174460121
1-but-2-enyl-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione
CID 54145108
benzaldehyde;4-[[2-(3,5-dichlorophenyl)sulfanyl-5-methyl-3-propan-2-ylpyrrol-1-yl]methyl]pyridine
CID 174447555
1-[(E)-but-2-enyl]-5-ethyl-6-phenylsulfanylpyrimidine-2,4-dione
CID 18925233
N-[[5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]-1-pyridin-4-ylethenamine
CID 142105549
5-(3,5-dichlorophenyl)sulfanyl-1-propan-2-yl-3-prop-2-enyl-4-(pyridin-4-ylmethyl)imidazol-2-one
CID 10296590
5-(3-bromo-5-chlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid
CID 141046277

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione (CID 5279997) is 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione is CCc1c(Sc2cc(Cl)cc(Cl)c2)n(Cc2ccncc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is SNHJFKXQSFFAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-2-15-16(24)22-18(25)23(10-11-3-5-21-6-4-11)17(15)26-14-8-12(19)7-13(20)9-14/h3-9H,2,10H2,1H3,(H,22,24,25).
What are the key properties of 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 408.31 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 5279997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).