4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C11H17N3O3S — CID 86773664

IUPAC4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CN(CCS(C)(=O)=O)CC2
InChIInChI=1S/C11H17N3O3S/c1-17-11-9-7-14(5-6-18(2,15)16)4-3-10(9)12-8-13-11/h8H,3-7H2,1-2H3
InChIKeyRXUBMCQBPQZEDM-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.11
Rot. Bonds4

About 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 86773664) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID86773664
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CN(CCS(C)(=O)=O)CC2
InChIInChI=1S/C11H17N3O3S/c1-17-11-9-7-14(5-6-18(2,15)16)4-3-10(9)12-8-13-11/h8H,3-7H2,1-2H3
InChIKeyRXUBMCQBPQZEDM-UHFFFAOYSA-N
XLogP-0.11
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(benzenesulfonyl)ethyl]-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 86773198
(5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
CID 175900181
5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole
CID 86773157
2-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 86773101
6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 86773118
6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 158726618
3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 86773174
2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 129100139
2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 86671273
2-(2-methylsulfonylethyl)-3,4-dihydro-1H-isoquinoline
CID 141217654
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 154775676
7-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97404757

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 86773664) is 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ncnc2c1CN(CCS(C)(=O)=O)CC2.
What is the InChIKey of 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RXUBMCQBPQZEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-17-11-9-7-14(5-6-18(2,15)16)4-3-10(9)12-8-13-11/h8H,3-7H2,1-2H3.
What are the key properties of 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 271.34 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 86773664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).