6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H18N4S — CID 142341739

About 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 142341739) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 142341739
• Molecular Formula: C19H18N4S
• Molecular Weight: 334.45 g/mol
• Exact Mass: 334.13
• IUPAC Name: 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: C=C(c1cc(C)cs1)N1CCc2nc(-c3ccccn3)ncc2C1
• InChI: InChI=1S/C19H18N4S/c1-13-9-18(24-12-13)14(2)23-8-6-16-15(11-23)10-21-19(22-16)17-5-3-4-7-20-17/h3-5,7,9-10,12H,2,6,8,11H2,1H3
• InChIKey: ATRGRQKVZCMRKF-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 41.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.45
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 142341739) is 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C=C(c1cc(C)cs1)N1CCc2nc(-c3ccccn3)ncc2C1.

What is the InChIKey of 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is ATRGRQKVZCMRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-13-9-18(24-12-13)14(2)23-8-6-16-15(11-23)10-21-19(22-16)17-5-3-4-7-20-17/h3-5,7,9-10,12H,2,6,8,11H2,1H3.

What are the key properties of 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 334.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 142341739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).