6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H23N3O2S — CID 24929342

IUPAC6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1c(CN2CCc3nc(SC)ncc3C2)cccc1OC
InChIInChI=1S/C18H23N3O2S/c1-4-23-17-13(6-5-7-16(17)22-2)11-21-9-8-15-14(12-21)10-19-18(20-15)24-3/h5-7,10H,4,8-9,11-12H2,1-3H3
InChIKeyCKWROVKRCRAXKS-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.16
Rot. Bonds6

About 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929342) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24929342
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1c(CN2CCc3nc(SC)ncc3C2)cccc1OC
InChIInChI=1S/C18H23N3O2S/c1-4-23-17-13(6-5-7-16(17)22-2)11-21-9-8-15-14(12-21)10-19-18(20-15)24-3/h5-7,10H,4,8-9,11-12H2,1-3H3
InChIKeyCKWROVKRCRAXKS-UHFFFAOYSA-N
XLogP3.16
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2,6-dimethoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928964
6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928302
6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913085
2-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 24929300
2-(4-chlorophenyl)-6-[(2,3-diethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928248
6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911888
6-[(2,3-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928309
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916718
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911993
6-[(2-chloro-3-methoxyphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929133
5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2,4-triol
CID 24928418
6-[(4-methyl-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917074

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929342) is 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1c(CN2CCc3nc(SC)ncc3C2)cccc1OC.
What is the InChIKey of 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CKWROVKRCRAXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-4-23-17-13(6-5-7-16(17)22-2)11-21-9-8-15-14(12-21)10-19-18(20-15)24-3/h5-7,10H,4,8-9,11-12H2,1-3H3.
What are the key properties of 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 345.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).