2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol

C12H17N5O3 — CID 153340006

About 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol

2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol (PubChem CID 153340006) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol.

Molecular Properties

• Compound Name: 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol
• PubChem CID: 153340006
• Molecular Formula: C12H17N5O3
• Molecular Weight: 279.30 g/mol
• Exact Mass: 279.13
• IUPAC Name: 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol
• SMILES: NCc1c[nH]c2nc(N)[nH]c(=O)c12.OC1C=CCC1O
• InChI: InChI=1S/C7H9N5O.C5H8O2/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5;6-4-2-1-3-5(4)7/h2H,1,8H2,(H4,9,10,11,12,13);1-2,4-7H,3H2
• InChIKey: FEUBDVMFMJWDNB-UHFFFAOYSA-N
• XLogP: -1.04
• TPSA: 154.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	279.30
LogP ≤ 5	-1.04
H-Bond Donors ≤ 5	6
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;cyclopent-3-ene-1,2-diol?

The IUPAC name of 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol (CID 153340006) is 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol.

What is the SMILES notation for 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol?

The canonical SMILES for 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol is NCc1c[nH]c2nc(N)[nH]c(=O)c12.OC1C=CCC1O.

What is the InChIKey of 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol?

The InChIKey is FEUBDVMFMJWDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O.C5H8O2/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5;6-4-2-1-3-5(4)7/h2H,1,8H2,(H4,9,10,11,12,13);1-2,4-7H,3H2.

What are the key properties of 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol?

2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol has a molecular weight of 279.30 g/mol, XLogP of -1.04, 1 rotatable bonds, 6 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;cyclopent-3-ene-1,2-diol is sourced from PubChem (CID 153340006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).