2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

C15H21N5O3 — CID 142296977

About 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 142296977) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

• Compound Name: 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
• PubChem CID: 142296977
• Molecular Formula: C15H21N5O3
• Molecular Weight: 319.37 g/mol
• Exact Mass: 319.16
• IUPAC Name: 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
• SMILES: CC1(C)OC2C=CCC2O1.NCc1c[nH]c2nc(N)[nH]c(=O)c12
• InChI: InChI=1S/C8H12O2.C7H9N5O/c1-8(2)9-6-4-3-5-7(6)10-8;8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h3-4,6-7H,5H2,1-2H3;2H,1,8H2,(H4,9,10,11,12,13)
• InChIKey: DCHNWBUMRWKFFE-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 132.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?

The IUPAC name of 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (CID 142296977) is 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.

What is the SMILES notation for 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?

The canonical SMILES for 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is CC1(C)OC2C=CCC2O1.NCc1c[nH]c2nc(N)[nH]c(=O)c12.

What is the InChIKey of 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?

The InChIKey is DCHNWBUMRWKFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C7H9N5O/c1-8(2)9-6-4-3-5-7(6)10-8;8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h3-4,6-7H,5H2,1-2H3;2H,1,8H2,(H4,9,10,11,12,13).

What are the key properties of 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?

2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 319.37 g/mol, XLogP of 0.76, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 142296977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).