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

C10H14N6O2 — CID 135512730

IUPAC2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNCCCNC(=O)c1c[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C10H14N6O2/c11-2-1-3-13-8(17)5-4-14-7-6(5)9(18)16-10(12)15-7/h4H,1-3,11H2,(H,13,17)(H4,12,14,15,16,18)
InChIKeyVJLKKBXETQVDAL-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.09
Rot. Bonds4

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

2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135512730) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID135512730
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNCCCNC(=O)c1c[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C10H14N6O2/c11-2-1-3-13-8(17)5-4-14-7-6(5)9(18)16-10(12)15-7/h4H,1-3,11H2,(H,13,17)(H4,12,14,15,16,18)
InChIKeyVJLKKBXETQVDAL-UHFFFAOYSA-N
XLogP-1.09
TPSA142.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 135512730) is 2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is NCCCNC(=O)c1c[nH]c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VJLKKBXETQVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c11-2-1-3-13-8(17)5-4-14-7-6(5)9(18)16-10(12)15-7/h4H,1-3,11H2,(H,13,17)(H4,12,14,15,16,18).
What are the key properties of 2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -1.09, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-aminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135512730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).