5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C13H13N3OS — CID 42597808

IUPAC5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(n1)NC(c1cccs1)NC2=O
InChIInChI=1S/C13H13N3OS/c1-7-6-8(2)14-12-10(7)13(17)16-11(15-12)9-4-3-5-18-9/h3-6,11H,1-2H3,(H,14,15)(H,16,17)
InChIKeyKYAFCFALRONWBB-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.61
Rot. Bonds1

About 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 42597808) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID42597808
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(n1)NC(c1cccs1)NC2=O
InChIInChI=1S/C13H13N3OS/c1-7-6-8(2)14-12-10(7)13(17)16-11(15-12)9-4-3-5-18-9/h3-6,11H,1-2H3,(H,14,15)(H,16,17)
InChIKeyKYAFCFALRONWBB-UHFFFAOYSA-N
XLogP2.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 42597808) is 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(n1)NC(c1cccs1)NC2=O.
What is the InChIKey of 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KYAFCFALRONWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7-6-8(2)14-12-10(7)13(17)16-11(15-12)9-4-3-5-18-9/h3-6,11H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 259.33 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 42597808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).