2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine

C35H35N15 — CID 157052746

About 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine

2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 157052746) has the molecular formula C35H35N15 and a molecular weight of 665.77 g/mol. Its IUPAC name is 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine
• PubChem CID: 157052746
• Molecular Formula: C35H35N15
• Molecular Weight: 665.77 g/mol
• Exact Mass: 665.32
• IUPAC Name: 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine
• SMILES: Cc1c[nH]c2cncnc12.Cc1cc2ncncc2[nH]1.Cc1ncc2[nH]ccc2n1.Cc1ncnc2cc[nH]c12.Cn1ccc2ncncc21
• InChI: InChI=1S/5C7H7N3/c1-5-2-9-6-3-8-4-10-7(5)6;1-5-2-6-7(10-5)3-8-4-9-6;1-10-3-2-6-7(10)4-8-5-9-6;1-5-7-6(2-3-8-7)10-4-9-5;1-5-9-4-7-6(10-5)2-3-8-7/h2-4,9H,1H3;2-4,10H,1H3;2-5H,1H3;2*2-4,8H,1H3
• InChIKey: AAKBFCAFKURIDM-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 196.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	665.77
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine?

The IUPAC name of 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine (CID 157052746) is 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine.

What is the SMILES notation for 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine?

The canonical SMILES for 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1c[nH]c2cncnc12.Cc1cc2ncncc2[nH]1.Cc1ncc2[nH]ccc2n1.Cc1ncnc2cc[nH]c12.Cn1ccc2ncncc21.

What is the InChIKey of 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine?

The InChIKey is AAKBFCAFKURIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/5C7H7N3/c1-5-2-9-6-3-8-4-10-7(5)6;1-5-2-6-7(10-5)3-8-4-9-6;1-10-3-2-6-7(10)4-8-5-9-6;1-5-7-6(2-3-8-7)10-4-9-5;1-5-9-4-7-6(10-5)2-3-8-7/h2-4,9H,1H3;2-4,10H,1H3;2-5H,1H3;2*2-4,8H,1H3.

What are the key properties of 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine?

2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 665.77 g/mol, XLogP of 6.03, 0 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5H-pyrrolo[3,2-d]pyrimidine;4-methyl-5H-pyrrolo[3,2-d]pyrimidine;5-methylpyrrolo[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-methyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 157052746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).