O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine

C20H29N3O — CID 90429249

IUPACO-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine
SMILESCCCCCCCCCCc1cnc(-c2ccc(ON)cc2)nc1
InChIInChI=1S/C20H29N3O/c1-2-3-4-5-6-7-8-9-10-17-15-22-20(23-16-17)18-11-13-19(24-21)14-12-18/h11-16H,2-10,21H2,1H3
InChIKeyFBSGVNQDHRPWBV-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.08
Rot. Bonds11

About O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine

O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine (PubChem CID 90429249) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine
PubChem CID90429249
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameO-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine
SMILESCCCCCCCCCCc1cnc(-c2ccc(ON)cc2)nc1
InChIInChI=1S/C20H29N3O/c1-2-3-4-5-6-7-8-9-10-17-15-22-20(23-16-17)18-11-13-19(24-21)14-12-18/h11-16H,2-10,21H2,1H3
InChIKeyFBSGVNQDHRPWBV-UHFFFAOYSA-N
XLogP5.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
5-hexyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine
CID 14047581
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029

Frequently Asked Questions

What is the IUPAC name of O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine?
The IUPAC name of O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine (CID 90429249) is O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine.
What is the SMILES notation for O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine?
The canonical SMILES for O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine is CCCCCCCCCCc1cnc(-c2ccc(ON)cc2)nc1.
What is the InChIKey of O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine?
The InChIKey is FBSGVNQDHRPWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-2-3-4-5-6-7-8-9-10-17-15-22-20(23-16-17)18-11-13-19(24-21)14-12-18/h11-16H,2-10,21H2,1H3.
What are the key properties of O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine?
O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine has a molecular weight of 327.47 g/mol, XLogP of 5.08, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-(5-decylpyrimidin-2-yl)phenyl]hydroxylamine is sourced from PubChem (CID 90429249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).