3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one

C13H17N3O2 — CID 155019791

IUPAC3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2ncc(C(C)C)cc2c1=O
InChIInChI=1S/C13H17N3O2/c1-9(2)10-6-11-12(14-7-10)15-8-16(13(11)17)4-5-18-3/h6-9H,4-5H2,1-3H3
InChIKeyIUPYFERHCSOHNU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.56
Rot. Bonds4

About 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one

3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 155019791) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one
PubChem CID155019791
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2ncc(C(C)C)cc2c1=O
InChIInChI=1S/C13H17N3O2/c1-9(2)10-6-11-12(14-7-10)15-8-16(13(11)17)4-5-18-3/h6-9H,4-5H2,1-3H3
InChIKeyIUPYFERHCSOHNU-UHFFFAOYSA-N
XLogP1.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one (CID 155019791) is 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one is COCCn1cnc2ncc(C(C)C)cc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IUPYFERHCSOHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(2)10-6-11-12(14-7-10)15-8-16(13(11)17)4-5-18-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one?
3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 247.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 155019791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).