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

C11H17N3O3S — CID 24930499

IUPAC7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCOCN1CCc2cnc(S(C)(=O)=O)nc2C1
InChIInChI=1S/C11H17N3O3S/c1-3-17-8-14-5-4-9-6-12-11(18(2,15)16)13-10(9)7-14/h6H,3-5,7-8H2,1-2H3
InChIKeyNVYWNQPQTFUSOB-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.23
Rot. Bonds4

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

7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930499) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930499
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCOCN1CCc2cnc(S(C)(=O)=O)nc2C1
InChIInChI=1S/C11H17N3O3S/c1-3-17-8-14-5-4-9-6-12-11(18(2,15)16)13-10(9)7-14/h6H,3-5,7-8H2,1-2H3
InChIKeyNVYWNQPQTFUSOB-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930562
7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930646
3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole
CID 24931129
tert-butyl 2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 124518676
6-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930089
6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928892
2-methylsulfonyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928199
6-[(5-methyl-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917695
2-methylsulfonyl-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908837
6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 83919864
[5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
CID 24908648
6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913097

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930499) is 7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCOCN1CCc2cnc(S(C)(=O)=O)nc2C1.
What is the InChIKey of 7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is NVYWNQPQTFUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-17-8-14-5-4-9-6-12-11(18(2,15)16)13-10(9)7-14/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 271.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).