2-imino-5H-pyrimidin-4-amine

C4H6N4 — CID 119083770

IUPAC2-imino-5H-pyrimidin-4-amine
SMILES[H]/N=C1\N=CCC(N)=N1
InChIInChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h2H,1H2,(H3,5,6,8)
InChIKeyWUYDUWLHJZZAHB-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.25
Rot. Bonds

About 2-imino-5H-pyrimidin-4-amine

2-imino-5H-pyrimidin-4-amine (PubChem CID 119083770) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 2-imino-5H-pyrimidin-4-amine.

Molecular Properties

Compound Name2-imino-5H-pyrimidin-4-amine
PubChem CID119083770
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name2-imino-5H-pyrimidin-4-amine
SMILES[H]/N=C1\N=CCC(N)=N1
InChIInChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h2H,1H2,(H3,5,6,8)
InChIKeyWUYDUWLHJZZAHB-UHFFFAOYSA-N
XLogP-0.25
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-5H-pyrimidin-4-amine?
The IUPAC name of 2-imino-5H-pyrimidin-4-amine (CID 119083770) is 2-imino-5H-pyrimidin-4-amine.
What is the SMILES notation for 2-imino-5H-pyrimidin-4-amine?
The canonical SMILES for 2-imino-5H-pyrimidin-4-amine is [H]/N=C1\N=CCC(N)=N1.
What is the InChIKey of 2-imino-5H-pyrimidin-4-amine?
The InChIKey is WUYDUWLHJZZAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h2H,1H2,(H3,5,6,8).
What are the key properties of 2-imino-5H-pyrimidin-4-amine?
2-imino-5H-pyrimidin-4-amine has a molecular weight of 110.12 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5H-pyrimidin-4-amine is sourced from PubChem (CID 119083770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).