2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one

C16H16N4O — CID 5330226

IUPAC2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C16H16N4O/c1-2-10-20-14(21)9-8-12-11-17-16(19-15(12)20)18-13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3,(H,17,18,19)
InChIKeyZEJXJYCOUVOWGJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.95
Rot. Bonds4

About 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330226) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330226
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C16H16N4O/c1-2-10-20-14(21)9-8-12-11-17-16(19-15(12)20)18-13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3,(H,17,18,19)
InChIKeyZEJXJYCOUVOWGJ-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one (CID 5330226) is 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one is CCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZEJXJYCOUVOWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-10-20-14(21)9-8-12-11-17-16(19-15(12)20)18-13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3,(H,17,18,19).
What are the key properties of 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 280.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-propylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).