2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one

C15H14N4O2 — CID 5330238

IUPAC2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C15H14N4O2/c1-21-10-19-13(20)8-7-11-9-16-15(18-14(11)19)17-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17,18)
InChIKeyQBBAIJFXDFLCKG-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.14
Rot. Bonds4

About 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330238) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330238
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C15H14N4O2/c1-21-10-19-13(20)8-7-11-9-16-15(18-14(11)19)17-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17,18)
InChIKeyQBBAIJFXDFLCKG-UHFFFAOYSA-N
XLogP2.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one (CID 5330238) is 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one is COCn1c(=O)ccc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QBBAIJFXDFLCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-10-19-13(20)8-7-11-9-16-15(18-14(11)19)17-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17,18).
What are the key properties of 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 282.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(methoxymethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).