6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C16H17N7 — CID 24910180

About 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910180) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24910180
• Molecular Formula: C16H17N7
• Molecular Weight: 307.36 g/mol
• Exact Mass: 307.15
• IUPAC Name: 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1cc(CN2CCc3nc(-c4cncnc4)ncc3C2)n[nH]1
• InChI: InChI=1S/C16H17N7/c1-11-4-14(22-21-11)9-23-3-2-15-13(8-23)7-19-16(20-15)12-5-17-10-18-6-12/h4-7,10H,2-3,8-9H2,1H3,(H,21,22)
• InChIKey: FRZTWHWCQWYJAW-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.36
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910180) is 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(CN2CCc3nc(-c4cncnc4)ncc3C2)n[nH]1.

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

The InChIKey is FRZTWHWCQWYJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-11-4-14(22-21-11)9-23-3-2-15-13(8-23)7-19-16(20-15)12-5-17-10-18-6-12/h4-7,10H,2-3,8-9H2,1H3,(H,21,22).

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

6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 307.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).