2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

C10H13N7O2 — CID 135492350

IUPAC2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)c1c[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C10H13N7O2/c11-5(12)1-2-14-8(18)4-3-15-7-6(4)9(19)17-10(13)16-7/h3H,1-2H2,(H3,11,12)(H,14,18)(H4,13,15,16,17,19)
InChIKeyAPPZNNNSVGCTRW-UHFFFAOYSA-N
MW263.26 g/mol
LogP-1.11
Rot. Bonds4

About 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135492350) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID135492350
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)c1c[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C10H13N7O2/c11-5(12)1-2-14-8(18)4-3-15-7-6(4)9(19)17-10(13)16-7/h3H,1-2H2,(H3,11,12)(H,14,18)(H4,13,15,16,17,19)
InChIKeyAPPZNNNSVGCTRW-UHFFFAOYSA-N
XLogP-1.11
TPSA166.53 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 135492350) is 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is [H]/N=C(\N)CCNC(=O)c1c[nH]c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is APPZNNNSVGCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2/c11-5(12)1-2-14-8(18)4-3-15-7-6(4)9(19)17-10(13)16-7/h3H,1-2H2,(H3,11,12)(H,14,18)(H4,13,15,16,17,19).
What are the key properties of 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 263.26 g/mol, XLogP of -1.11, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135492350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).