6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H25N3O3S — CID 135916906

IUPAC6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCOc1ccc(CN2CCc3nc(SC)[nH]c(=O)c3C2)c(OCC)c1
InChIInChI=1S/C19H25N3O3S/c1-4-24-14-7-6-13(17(10-14)25-5-2)11-22-9-8-16-15(12-22)18(23)21-19(20-16)26-3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,20,21,23)
InChIKeyYSXZUXUEHJGNOW-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.85
Rot. Bonds7

About 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135916906) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135916906
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCOc1ccc(CN2CCc3nc(SC)[nH]c(=O)c3C2)c(OCC)c1
InChIInChI=1S/C19H25N3O3S/c1-4-24-14-7-6-13(17(10-14)25-5-2)11-22-9-8-16-15(12-22)18(23)21-19(20-16)26-3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,20,21,23)
InChIKeyYSXZUXUEHJGNOW-UHFFFAOYSA-N
XLogP2.85
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2,5-diethoxyphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917107
7-[(2,4-diethoxyphenyl)methyl]-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863624
6-[(2,4-dimethylphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917046
6-[(2,5-diethoxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917116
7-[(2,4-diethoxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863626
6-[[6-(3-ethoxyphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945718
6-[(5-methoxy-1H-indol-3-yl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861233
2-methylsulfanyl-6-(quinolin-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861293
6-[(3-fluoro-4-pyridinyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947098
6-[(3,4-difluorophenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918304
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943538
6-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947851

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135916906) is 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCOc1ccc(CN2CCc3nc(SC)[nH]c(=O)c3C2)c(OCC)c1.
What is the InChIKey of 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YSXZUXUEHJGNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-24-14-7-6-13(17(10-14)25-5-2)11-22-9-8-16-15(12-22)18(23)21-19(20-16)26-3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,20,21,23).
What are the key properties of 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 375.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-diethoxyphenyl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135916906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).