2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine

C₁₁H₁₅N₃ — CID 58336295

About 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine

2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 58336295) has the molecular formula C₁₁H₁₅N₃ and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine
• PubChem CID: 58336295
• Molecular Formula: C₁₁H₁₅N₃
• Molecular Weight: 189.26 g/mol
• Exact Mass: 189.13
• IUPAC Name: 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine
• SMILES: C/C=C/c1nc(C)nc2c1CCN2C
• InChI: InChI=1S/C11H15N3/c1-4-5-10-9-6-7-14(3)11(9)13-8(2)12-10/h4-5H,6-7H2,1-3H3/b5-4+
• InChIKey: LBHBZBONLOYCEM-SNAWJCMRSA-N
• XLogP: 1.81
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	189.26
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine?

The IUPAC name of 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 58336295) is 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine is C/C=C/c1nc(C)nc2c1CCN2C.

What is the InChIKey of 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine?

The InChIKey is LBHBZBONLOYCEM-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-5-10-9-6-7-14(3)11(9)13-8(2)12-10/h4-5H,6-7H2,1-3H3/b5-4+.

What are the key properties of 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine?

2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58336295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58336295 — identifiers, structure, computed properties (public domain)

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