2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

C19H23N5O — CID 5330219

IUPAC2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)c1ccc(Nc2ncc3ccc(=O)n(CC)c3n2)cc1
InChIInChI=1S/C19H23N5O/c1-4-23(5-2)16-10-8-15(9-11-16)21-19-20-13-14-7-12-17(25)24(6-3)18(14)22-19/h7-13H,4-6H2,1-3H3,(H,20,21,22)
InChIKeyLIGGMHKLMIAZKK-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.40
Rot. Bonds6

About 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330219) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330219
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)c1ccc(Nc2ncc3ccc(=O)n(CC)c3n2)cc1
InChIInChI=1S/C19H23N5O/c1-4-23(5-2)16-10-8-15(9-11-16)21-19-20-13-14-7-12-17(25)24(6-3)18(14)22-19/h7-13H,4-6H2,1-3H3,(H,20,21,22)
InChIKeyLIGGMHKLMIAZKK-UHFFFAOYSA-N
XLogP3.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 5330219) is 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCN(CC)c1ccc(Nc2ncc3ccc(=O)n(CC)c3n2)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LIGGMHKLMIAZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-23(5-2)16-10-8-15(9-11-16)21-19-20-13-14-7-12-17(25)24(6-3)18(14)22-19/h7-13H,4-6H2,1-3H3,(H,20,21,22).
What are the key properties of 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 337.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).