2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one

C13H11N3O2 — CID 135871334

IUPAC2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(-c3ccco3)nc2n1
InChIInChI=1S/C13H11N3O2/c1-7-6-8(2)14-12-10(7)13(17)16-11(15-12)9-4-3-5-18-9/h3-6H,1-2H3,(H,14,15,16,17)
InChIKeyMACHSMDOCKSMSK-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.19
Rot. Bonds1

About 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one

2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135871334) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135871334
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(-c3ccco3)nc2n1
InChIInChI=1S/C13H11N3O2/c1-7-6-8(2)14-12-10(7)13(17)16-11(15-12)9-4-3-5-18-9/h3-6H,1-2H3,(H,14,15,16,17)
InChIKeyMACHSMDOCKSMSK-UHFFFAOYSA-N
XLogP2.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135871334) is 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(=O)[nH]c(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MACHSMDOCKSMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-7-6-8(2)14-12-10(7)13(17)16-11(15-12)9-4-3-5-18-9/h3-6H,1-2H3,(H,14,15,16,17).
What are the key properties of 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 241.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135871334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).