N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine

C5H8N4O2 — CID 541522

IUPACN-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine
SMILESCc1cc(NO)nc(NO)n1
InChIInChI=1S/C5H8N4O2/c1-3-2-4(8-10)7-5(6-3)9-11/h2,10-11H,1H3,(H2,6,7,8,9)
InChIKeyBGOUULNNFYNJRT-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.39
Rot. Bonds2

About N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine

N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine (PubChem CID 541522) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine
PubChem CID541522
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC NameN-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine
SMILESCc1cc(NO)nc(NO)n1
InChIInChI=1S/C5H8N4O2/c1-3-2-4(8-10)7-5(6-3)9-11/h2,10-11H,1H3,(H2,6,7,8,9)
InChIKeyBGOUULNNFYNJRT-UHFFFAOYSA-N
XLogP0.39
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine?
The IUPAC name of N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine (CID 541522) is N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine.
What is the SMILES notation for N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine?
The canonical SMILES for N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine is Cc1cc(NO)nc(NO)n1.
What is the InChIKey of N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine?
The InChIKey is BGOUULNNFYNJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-3-2-4(8-10)7-5(6-3)9-11/h2,10-11H,1H3,(H2,6,7,8,9).
What are the key properties of N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine?
N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine has a molecular weight of 156.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-6-methylpyrimidin-4-yl]hydroxylamine is sourced from PubChem (CID 541522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).