2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C15H16N4O — CID 18375160

IUPAC2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCN1C(=O)CCc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C15H16N4O/c1-2-19-13(20)9-8-11-10-16-15(18-14(11)19)17-12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyFVALCJVWJJMQGL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.52
Rot. Bonds3

About 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375160) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID18375160
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCN1C(=O)CCc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C15H16N4O/c1-2-19-13(20)9-8-11-10-16-15(18-14(11)19)17-12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyFVALCJVWJJMQGL-UHFFFAOYSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 18375160) is 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCN1C(=O)CCc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FVALCJVWJJMQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-19-13(20)9-8-11-10-16-15(18-14(11)19)17-12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H,16,17,18).
What are the key properties of 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 268.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).