2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H18N6S — CID 24915850

About 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915850) has the molecular formula C21H18N6S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915850
• Molecular Formula: C21H18N6S
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.13
• IUPAC Name: 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1cnc(-c2ccsc2)c(CN2CCc3nc(-c4cncnc4)ncc3C2)c1
• InChI: InChI=1S/C21H18N6S/c1-2-15(20(24-5-1)16-4-7-28-13-16)11-27-6-3-19-18(12-27)10-25-21(26-19)17-8-22-14-23-9-17/h1-2,4-5,7-10,13-14H,3,6,11-12H2
• InChIKey: CJDXTTHMZIIFTI-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 67.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915850) is 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cnc(-c2ccsc2)c(CN2CCc3nc(-c4cncnc4)ncc3C2)c1.

What is the InChIKey of 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is CJDXTTHMZIIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6S/c1-2-15(20(24-5-1)16-4-7-28-13-16)11-27-6-3-19-18(12-27)10-25-21(26-19)17-8-22-14-23-9-17/h1-2,4-5,7-10,13-14H,3,6,11-12H2.

What are the key properties of 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 386.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).