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

C21H27N5O2 — CID 5330216

IUPAC2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(CC)c3n2)cc1
InChIInChI=1S/C21H27N5O2/c1-4-25(5-2)13-14-28-18-10-8-17(9-11-18)23-21-22-15-16-7-12-19(27)26(6-3)20(16)24-21/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,23,24)
InChIKeyQIQYKWBRXRSSNC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.28
Rot. Bonds9

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

2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330216) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330216
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(CC)c3n2)cc1
InChIInChI=1S/C21H27N5O2/c1-4-25(5-2)13-14-28-18-10-8-17(9-11-18)23-21-22-15-16-7-12-19(27)26(6-3)20(16)24-21/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,23,24)
InChIKeyQIQYKWBRXRSSNC-UHFFFAOYSA-N
XLogP3.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 5330216) is 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(CC)c3n2)cc1.
What is the InChIKey of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QIQYKWBRXRSSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-25(5-2)13-14-28-18-10-8-17(9-11-18)23-21-22-15-16-7-12-19(27)26(6-3)20(16)24-21/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,23,24).
What are the key properties of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 381.48 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).