7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C14H23N3O4S — CID 128974281

IUPAC7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCS(=O)(=O)N1CCc2c(ncn(CCOC(C)C)c2=O)C1
InChIInChI=1S/C14H23N3O4S/c1-4-22(19,20)17-6-5-12-13(9-17)15-10-16(14(12)18)7-8-21-11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyRYDWWFITJGHSFW-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.38
Rot. Bonds6

About 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128974281) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128974281
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCS(=O)(=O)N1CCc2c(ncn(CCOC(C)C)c2=O)C1
InChIInChI=1S/C14H23N3O4S/c1-4-22(19,20)17-6-5-12-13(9-17)15-10-16(14(12)18)7-8-21-11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyRYDWWFITJGHSFW-UHFFFAOYSA-N
XLogP0.38
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128974281) is 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCS(=O)(=O)N1CCc2c(ncn(CCOC(C)C)c2=O)C1.
What is the InChIKey of 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RYDWWFITJGHSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-4-22(19,20)17-6-5-12-13(9-17)15-10-16(14(12)18)7-8-21-11(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 329.42 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128974281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).