2-imino-7H-purin-1-amine

C5H6N6 — CID 135813677

IUPAC2-imino-7H-purin-1-amine
SMILES[H]/N=c1\nc2nc[nH]c2cn1N
InChIInChI=1S/C5H6N6/c6-5-10-4-3(1-11(5)7)8-2-9-4/h1-2H,7H2,(H2,6,8,9,10)
InChIKeyOMXQCGKNMSNBFH-UHFFFAOYSA-N
MW150.15 g/mol
LogP-1.05
Rot. Bonds

About 2-imino-7H-purin-1-amine

2-imino-7H-purin-1-amine (PubChem CID 135813677) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-imino-7H-purin-1-amine.

Molecular Properties

Compound Name2-imino-7H-purin-1-amine
PubChem CID135813677
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name2-imino-7H-purin-1-amine
SMILES[H]/N=c1\nc2nc[nH]c2cn1N
InChIInChI=1S/C5H6N6/c6-5-10-4-3(1-11(5)7)8-2-9-4/h1-2H,7H2,(H2,6,8,9,10)
InChIKeyOMXQCGKNMSNBFH-UHFFFAOYSA-N
XLogP-1.05
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imino-7H-purin-1-amine?
The IUPAC name of 2-imino-7H-purin-1-amine (CID 135813677) is 2-imino-7H-purin-1-amine.
What is the SMILES notation for 2-imino-7H-purin-1-amine?
The canonical SMILES for 2-imino-7H-purin-1-amine is [H]/N=c1\nc2nc[nH]c2cn1N.
What is the InChIKey of 2-imino-7H-purin-1-amine?
The InChIKey is OMXQCGKNMSNBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c6-5-10-4-3(1-11(5)7)8-2-9-4/h1-2H,7H2,(H2,6,8,9,10).
What are the key properties of 2-imino-7H-purin-1-amine?
2-imino-7H-purin-1-amine has a molecular weight of 150.15 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-7H-purin-1-amine is sourced from PubChem (CID 135813677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).