8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one

C16H16N4O2 — CID 5330211

IUPAC8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(OC)cc3)nc21
InChIInChI=1S/C16H16N4O2/c1-3-20-14(21)9-4-11-10-17-16(19-15(11)20)18-12-5-7-13(22-2)8-6-12/h4-10H,3H2,1-2H3,(H,17,18,19)
InChIKeyKMUPOOOPAVCTHA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.56
Rot. Bonds4

About 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330211) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330211
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(OC)cc3)nc21
InChIInChI=1S/C16H16N4O2/c1-3-20-14(21)9-4-11-10-17-16(19-15(11)20)18-12-5-7-13(22-2)8-6-12/h4-10H,3H2,1-2H3,(H,17,18,19)
InChIKeyKMUPOOOPAVCTHA-UHFFFAOYSA-N
XLogP2.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330211) is 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(OC)cc3)nc21.
What is the InChIKey of 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KMUPOOOPAVCTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-20-14(21)9-4-11-10-17-16(19-15(11)20)18-12-5-7-13(22-2)8-6-12/h4-10H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 296.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).