7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C15H21N3O3 — CID 129341830

IUPAC7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC[C@@H]1CC[C@H](C(=O)N2CCc3c(ncn(C)c3=O)C2)O1
InChIInChI=1S/C15H21N3O3/c1-3-10-4-5-13(21-10)15(20)18-7-6-11-12(8-18)16-9-17(2)14(11)19/h9-10,13H,3-8H2,1-2H3/t10-,13-/m1/s1
InChIKeyZKNMXKAMUWMGTE-ZWNOBZJWSA-N
MW291.35 g/mol
LogP0.62
Rot. Bonds2

About 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 129341830) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID129341830
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC[C@@H]1CC[C@H](C(=O)N2CCc3c(ncn(C)c3=O)C2)O1
InChIInChI=1S/C15H21N3O3/c1-3-10-4-5-13(21-10)15(20)18-7-6-11-12(8-18)16-9-17(2)14(11)19/h9-10,13H,3-8H2,1-2H3/t10-,13-/m1/s1
InChIKeyZKNMXKAMUWMGTE-ZWNOBZJWSA-N
XLogP0.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 129341830) is 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CC[C@@H]1CC[C@H](C(=O)N2CCc3c(ncn(C)c3=O)C2)O1.
What is the InChIKey of 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZKNMXKAMUWMGTE-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-10-4-5-13(21-10)15(20)18-7-6-11-12(8-18)16-9-17(2)14(11)19/h9-10,13H,3-8H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 291.35 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 129341830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).