N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine

C6H9N3O — CID 13144367

IUPACN-(4,6-dimethylpyrimidin-2-yl)hydroxylamine
SMILESCc1cc(C)nc(NO)n1
InChIInChI=1S/C6H9N3O/c1-4-3-5(2)8-6(7-4)9-10/h3,10H,1-2H3,(H,7,8,9)
InChIKeyMDBKKNCBIAVHAA-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.89
Rot. Bonds1

About N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine

N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine (PubChem CID 13144367) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)hydroxylamine
PubChem CID13144367
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)hydroxylamine
SMILESCc1cc(C)nc(NO)n1
InChIInChI=1S/C6H9N3O/c1-4-3-5(2)8-6(7-4)9-10/h3,10H,1-2H3,(H,7,8,9)
InChIKeyMDBKKNCBIAVHAA-UHFFFAOYSA-N
XLogP0.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4,6-dimethylpyrimidin-2-yl)hydroxylamine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine (CID 13144367) is N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine is Cc1cc(C)nc(NO)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine?
The InChIKey is MDBKKNCBIAVHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-3-5(2)8-6(7-4)9-10/h3,10H,1-2H3,(H,7,8,9).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine?
N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine has a molecular weight of 139.16 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine is sourced from PubChem (CID 13144367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).