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

C22H29N5O2 — CID 5330243

IUPAC2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C(C)C)c3n2)cc1
InChIInChI=1S/C22H29N5O2/c1-5-26(6-2)13-14-29-19-10-8-18(9-11-19)24-22-23-15-17-7-12-20(28)27(16(3)4)21(17)25-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,23,24,25)
InChIKeyQRLYOXMIPWTXIA-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.84
Rot. Bonds9

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

2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330243) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330243
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C(C)C)c3n2)cc1
InChIInChI=1S/C22H29N5O2/c1-5-26(6-2)13-14-29-19-10-8-18(9-11-19)24-22-23-15-17-7-12-20(28)27(16(3)4)21(17)25-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,23,24,25)
InChIKeyQRLYOXMIPWTXIA-UHFFFAOYSA-N
XLogP3.84
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.84
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-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 5330243) is 2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C(C)C)c3n2)cc1.
What is the InChIKey of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QRLYOXMIPWTXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-5-26(6-2)13-14-29-19-10-8-18(9-11-19)24-22-23-15-17-7-12-20(28)27(16(3)4)21(17)25-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,23,24,25).
What are the key properties of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-[4-[2-(diethylamino)ethoxy]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 395.51 g/mol, XLogP of 3.84, 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-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).