1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine

C7H12N4O — CID 15734619

IUPAC1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine
SMILES[H]/N=c1\cc(N(C)C)nc(C)n1O
InChIInChI=1S/C7H12N4O/c1-5-9-7(10(2)3)4-6(8)11(5)12/h4,8,12H,1-3H3/b8-6+
InChIKeyRHSHOGGPYZUIML-SOFGYWHQSA-N
MW168.20 g/mol
LogP-0.03
Rot. Bonds1

About 1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine

1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine (PubChem CID 15734619) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine
PubChem CID15734619
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine
SMILES[H]/N=c1\cc(N(C)C)nc(C)n1O
InChIInChI=1S/C7H12N4O/c1-5-9-7(10(2)3)4-6(8)11(5)12/h4,8,12H,1-3H3/b8-6+
InChIKeyRHSHOGGPYZUIML-SOFGYWHQSA-N
XLogP-0.03
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-6-imino-N,N,2-trimethylpyrimidin-4-amine?
The IUPAC name of 1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine (CID 15734619) is 1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine.
What is the SMILES notation for 1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine?
The canonical SMILES for 1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine is [H]/N=c1\cc(N(C)C)nc(C)n1O.
What is the InChIKey of 1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine?
The InChIKey is RHSHOGGPYZUIML-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-9-7(10(2)3)4-6(8)11(5)12/h4,8,12H,1-3H3/b8-6+.
What are the key properties of 1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine?
1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine has a molecular weight of 168.20 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-imino-N,N,2-trimethylpyrimidin-4-amine is sourced from PubChem (CID 15734619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).