O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine

C14H18N4O — CID 123706604

IUPACO-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine
SMILESCc1cccc(-c2nc(C)cc(CCCON)n2)n1
InChIInChI=1S/C14H18N4O/c1-10-5-3-7-13(16-10)14-17-11(2)9-12(18-14)6-4-8-19-15/h3,5,7,9H,4,6,8,15H2,1-2H3
InChIKeyAKPNWVJCSUHUGH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.98
Rot. Bonds5

About O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine

O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine (PubChem CID 123706604) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine
PubChem CID123706604
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameO-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine
SMILESCc1cccc(-c2nc(C)cc(CCCON)n2)n1
InChIInChI=1S/C14H18N4O/c1-10-5-3-7-13(16-10)14-17-11(2)9-12(18-14)6-4-8-19-15/h3,5,7,9H,4,6,8,15H2,1-2H3
InChIKeyAKPNWVJCSUHUGH-UHFFFAOYSA-N
XLogP1.98
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine?
The IUPAC name of O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine (CID 123706604) is O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine.
What is the SMILES notation for O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine?
The canonical SMILES for O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine is Cc1cccc(-c2nc(C)cc(CCCON)n2)n1.
What is the InChIKey of O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine?
The InChIKey is AKPNWVJCSUHUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-3-7-13(16-10)14-17-11(2)9-12(18-14)6-4-8-19-15/h3,5,7,9H,4,6,8,15H2,1-2H3.
What are the key properties of O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine?
O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine has a molecular weight of 258.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]hydroxylamine is sourced from PubChem (CID 123706604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).