O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine

C5H9N3O — CID 174304737

IUPACO-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine
SMILESNOCC1=NCC=CN1
InChIInChI=1S/C5H9N3O/c6-9-4-5-7-2-1-3-8-5/h1-2H,3-4,6H2,(H,7,8)
InChIKeyDYVIFDDTHMTCMC-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.61
Rot. Bonds2

About O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine

O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine (PubChem CID 174304737) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine
PubChem CID174304737
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameO-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine
SMILESNOCC1=NCC=CN1
InChIInChI=1S/C5H9N3O/c6-9-4-5-7-2-1-3-8-5/h1-2H,3-4,6H2,(H,7,8)
InChIKeyDYVIFDDTHMTCMC-UHFFFAOYSA-N
XLogP-0.61
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.61
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 O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine?
The IUPAC name of O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine (CID 174304737) is O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine?
The canonical SMILES for O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine is NOCC1=NCC=CN1.
What is the InChIKey of O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine?
The InChIKey is DYVIFDDTHMTCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-9-4-5-7-2-1-3-8-5/h1-2H,3-4,6H2,(H,7,8).
What are the key properties of O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine?
O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine has a molecular weight of 127.15 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1,4-dihydropyrimidin-2-ylmethyl)hydroxylamine is sourced from PubChem (CID 174304737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).