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

C17H18N4O — CID 5330228

IUPAC2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C17H18N4O/c1-2-3-11-21-15(22)10-9-13-12-18-17(20-16(13)21)19-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3,(H,18,19,20)
InChIKeyZEHXSPZMRLUPSR-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.34
Rot. Bonds5

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

2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330228) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330228
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C17H18N4O/c1-2-3-11-21-15(22)10-9-13-12-18-17(20-16(13)21)19-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3,(H,18,19,20)
InChIKeyZEHXSPZMRLUPSR-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one (CID 5330228) is 2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one is CCCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZEHXSPZMRLUPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-3-11-21-15(22)10-9-13-12-18-17(20-16(13)21)19-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3,(H,18,19,20).
What are the key properties of 2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 294.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).