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

C17H22N4 — CID 24911693

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

2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911693) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24911693
• Molecular Formula: C17H22N4
• Molecular Weight: 282.39 g/mol
• Exact Mass: 282.18
• IUPAC Name: 2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1cc(CN2CCc3nc(C4CC4)ncc3C2)c(C)[nH]1
• InChI: InChI=1S/C17H22N4/c1-11-7-14(12(2)19-11)9-21-6-5-16-15(10-21)8-18-17(20-16)13-3-4-13/h7-8,13,19H,3-6,9-10H2,1-2H3
• InChIKey: CYAMBYPQPMMVQH-UHFFFAOYSA-N
• XLogP: 2.86
• 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	282.39
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911693) is 2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(CN2CCc3nc(C4CC4)ncc3C2)c(C)[nH]1.

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

The InChIKey is CYAMBYPQPMMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11-7-14(12(2)19-11)9-21-6-5-16-15(10-21)8-18-17(20-16)13-3-4-13/h7-8,13,19H,3-6,9-10H2,1-2H3.

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

2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).