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

C21H25N5 — CID 24908461

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

6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908461) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24908461
• Molecular Formula: C21H25N5
• Molecular Weight: 347.47 g/mol
• Exact Mass: 347.21
• IUPAC Name: 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: C=C(C)C1CC=C(CN2CCc3nc(-c4cncnc4)ncc3C2)CC1
• InChI: InChI=1S/C21H25N5/c1-15(2)17-5-3-16(4-6-17)12-26-8-7-20-19(13-26)11-24-21(25-20)18-9-22-14-23-10-18/h3,9-11,14,17H,1,4-8,12-13H2,2H3
• InChIKey: FOYDGHVURRDZJC-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 54.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.47
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908461) is 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C=C(C)C1CC=C(CN2CCc3nc(-c4cncnc4)ncc3C2)CC1.

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

The InChIKey is FOYDGHVURRDZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15(2)17-5-3-16(4-6-17)12-26-8-7-20-19(13-26)11-24-21(25-20)18-9-22-14-23-10-18/h3,9-11,14,17H,1,4-8,12-13H2,2H3.

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

6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 347.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).