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

C17H18N4O3 — CID 5330213

IUPAC2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(OC)c(OC)c3)nc21
InChIInChI=1S/C17H18N4O3/c1-4-21-15(22)8-5-11-10-18-17(20-16(11)21)19-12-6-7-13(23-2)14(9-12)24-3/h5-10H,4H2,1-3H3,(H,18,19,20)
InChIKeySVJNWILXZCNIRZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.57
Rot. Bonds5

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

2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330213) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330213
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(OC)c(OC)c3)nc21
InChIInChI=1S/C17H18N4O3/c1-4-21-15(22)8-5-11-10-18-17(20-16(11)21)19-12-6-7-13(23-2)14(9-12)24-3/h5-10H,4H2,1-3H3,(H,18,19,20)
InChIKeySVJNWILXZCNIRZ-UHFFFAOYSA-N
XLogP2.57
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 5330213) is 2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(OC)c(OC)c3)nc21.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SVJNWILXZCNIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-21-15(22)8-5-11-10-18-17(20-16(11)21)19-12-6-7-13(23-2)14(9-12)24-3/h5-10H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 326.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).