1-hydroxy-2-iminopyrimidine-4,5-diamine

C4H7N5O — CID 139529678

IUPAC1-hydroxy-2-iminopyrimidine-4,5-diamine
SMILES[H]/N=c1\nc(N)c(N)cn1O
InChIInChI=1S/C4H7N5O/c5-2-1-9(10)4(7)8-3(2)6/h1,10H,5H2,(H3,6,7,8)
InChIKeyOAPSSGZSEVEJJO-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.24
Rot. Bonds

About 1-hydroxy-2-iminopyrimidine-4,5-diamine

1-hydroxy-2-iminopyrimidine-4,5-diamine (PubChem CID 139529678) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-hydroxy-2-iminopyrimidine-4,5-diamine.

Molecular Properties

Compound Name1-hydroxy-2-iminopyrimidine-4,5-diamine
PubChem CID139529678
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name1-hydroxy-2-iminopyrimidine-4,5-diamine
SMILES[H]/N=c1\nc(N)c(N)cn1O
InChIInChI=1S/C4H7N5O/c5-2-1-9(10)4(7)8-3(2)6/h1,10H,5H2,(H3,6,7,8)
InChIKeyOAPSSGZSEVEJJO-UHFFFAOYSA-N
XLogP-1.24
TPSA113.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-iminopyrimidine-4,5-diamine?
The IUPAC name of 1-hydroxy-2-iminopyrimidine-4,5-diamine (CID 139529678) is 1-hydroxy-2-iminopyrimidine-4,5-diamine.
What is the SMILES notation for 1-hydroxy-2-iminopyrimidine-4,5-diamine?
The canonical SMILES for 1-hydroxy-2-iminopyrimidine-4,5-diamine is [H]/N=c1\nc(N)c(N)cn1O.
What is the InChIKey of 1-hydroxy-2-iminopyrimidine-4,5-diamine?
The InChIKey is OAPSSGZSEVEJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-2-1-9(10)4(7)8-3(2)6/h1,10H,5H2,(H3,6,7,8).
What are the key properties of 1-hydroxy-2-iminopyrimidine-4,5-diamine?
1-hydroxy-2-iminopyrimidine-4,5-diamine has a molecular weight of 141.13 g/mol, XLogP of -1.24, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-iminopyrimidine-4,5-diamine is sourced from PubChem (CID 139529678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).