2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C27H31N5O3 — CID 135382330

IUPAC2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(OC)cc4)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C27H31N5O3/c1-5-32(6-2)15-16-35-23-13-9-21(10-14-23)29-27-28-18-20-17-24(26(33)31(3)25(20)30-27)19-7-11-22(34-4)12-8-19/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,28,29,30)
InChIKeyRXINECZBKGCLEK-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.47
Rot. Bonds10

About 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 135382330) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID135382330
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(OC)cc4)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C27H31N5O3/c1-5-32(6-2)15-16-35-23-13-9-21(10-14-23)29-27-28-18-20-17-24(26(33)31(3)25(20)30-27)19-7-11-22(34-4)12-8-19/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,28,29,30)
InChIKeyRXINECZBKGCLEK-UHFFFAOYSA-N
XLogP4.47
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 135382330) is 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(OC)cc4)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RXINECZBKGCLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-5-32(6-2)15-16-35-23-13-9-21(10-14-23)29-27-28-18-20-17-24(26(33)31(3)25(20)30-27)19-7-11-22(34-4)12-8-19/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,28,29,30).
What are the key properties of 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 473.58 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)ethoxy]anilino]-6-(4-methoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135382330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).