N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine

C9H10N4O — CID 89468446

IUPACN-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine
SMILESCN(O)c1nc(N)c2ccccc2n1
InChIInChI=1S/C9H10N4O/c1-13(14)9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5,14H,1H3,(H2,10,11,12)
InChIKeyAWTMLIAKEUDHOH-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.04
Rot. Bonds1

About N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine

N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine (PubChem CID 89468446) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine.

Molecular Properties

Compound NameN-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine
PubChem CID89468446
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameN-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine
SMILESCN(O)c1nc(N)c2ccccc2n1
InChIInChI=1S/C9H10N4O/c1-13(14)9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5,14H,1H3,(H2,10,11,12)
InChIKeyAWTMLIAKEUDHOH-UHFFFAOYSA-N
XLogP1.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine?
The IUPAC name of N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine (CID 89468446) is N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine.
What is the SMILES notation for N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine?
The canonical SMILES for N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine is CN(O)c1nc(N)c2ccccc2n1.
What is the InChIKey of N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine?
The InChIKey is AWTMLIAKEUDHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13(14)9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5,14H,1H3,(H2,10,11,12).
What are the key properties of N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine?
N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine has a molecular weight of 190.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine is sourced from PubChem (CID 89468446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).