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

C17H24N4 — CID 24909790

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

6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909790) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24909790
• Molecular Formula: C17H24N4
• Molecular Weight: 284.41 g/mol
• Exact Mass: 284.20
• IUPAC Name: 6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1cc(C)c(CN2CCc3nc(C(C)C)ncc3C2)[nH]1
• InChI: InChI=1S/C17H24N4/c1-11(2)17-18-8-14-9-21(6-5-15(14)20-17)10-16-12(3)7-13(4)19-16/h7-8,11,19H,5-6,9-10H2,1-4H3
• InChIKey: MOEBTTIJERWFQO-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.41
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909790) is 6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(C)c(CN2CCc3nc(C(C)C)ncc3C2)[nH]1.

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

The InChIKey is MOEBTTIJERWFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11(2)17-18-8-14-9-21(6-5-15(14)20-17)10-16-12(3)7-13(4)19-16/h7-8,11,19H,5-6,9-10H2,1-4H3.

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

6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 284.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).