6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

C26H30N6O4 — CID 22220189

IUPAC6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(Nc3ccnc(OCCN(C)C)c3)nc21
InChIInChI=1S/C26H30N6O4/c1-6-32-24-18(13-22(25(32)33)17-11-20(34-4)15-21(12-17)35-5)16-28-26(30-24)29-19-7-8-27-23(14-19)36-10-9-31(2)3/h7-8,11-16H,6,9-10H2,1-5H3,(H,27,28,29,30)
InChIKeyQLUYHYGVMGFOAI-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.57
Rot. Bonds10

About 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 22220189) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID22220189
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(Nc3ccnc(OCCN(C)C)c3)nc21
InChIInChI=1S/C26H30N6O4/c1-6-32-24-18(13-22(25(32)33)17-11-20(34-4)15-21(12-17)35-5)16-28-26(30-24)29-19-7-8-27-23(14-19)36-10-9-31(2)3/h7-8,11-16H,6,9-10H2,1-5H3,(H,27,28,29,30)
InChIKeyQLUYHYGVMGFOAI-UHFFFAOYSA-N
XLogP3.57
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 22220189) is 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(Nc3ccnc(OCCN(C)C)c3)nc21.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QLUYHYGVMGFOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-6-32-24-18(13-22(25(32)33)17-11-20(34-4)15-21(12-17)35-5)16-28-26(30-24)29-19-7-8-27-23(14-19)36-10-9-31(2)3/h7-8,11-16H,6,9-10H2,1-5H3,(H,27,28,29,30).
What are the key properties of 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 490.56 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22220189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).