[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid

C15H10N4O5 — CID 91273093

IUPAC[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid
SMILESO=C(O)Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ncn1
InChIInChI=1S/C15H10N4O5/c20-15(21)18-13-7-14(17-8-16-13)24-12-6-5-11(19(22)23)9-3-1-2-4-10(9)12/h1-8H,(H,20,21)(H,16,17,18)
InChIKeyHWZLTEBWAWLOOU-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.42
Rot. Bonds4

About [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid

[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid (PubChem CID 91273093) has the molecular formula C15H10N4O5 and a molecular weight of 326.27 g/mol. Its IUPAC name is [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid
PubChem CID91273093
Molecular FormulaC15H10N4O5
Molecular Weight326.27 g/mol
Exact Mass326.07
IUPAC Name[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid
SMILESO=C(O)Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ncn1
InChIInChI=1S/C15H10N4O5/c20-15(21)18-13-7-14(17-8-16-13)24-12-6-5-11(19(22)23)9-3-1-2-4-10(9)12/h1-8H,(H,20,21)(H,16,17,18)
InChIKeyHWZLTEBWAWLOOU-UHFFFAOYSA-N
XLogP3.42
TPSA127.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid
CID 70881346
1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea
CID 67451632
prop-1-en-2-yl N-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamate
CID 67451903
(2S)-2-(4-nitronaphthalen-1-yl)oxypropanoic acid
CID 98580976
6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80875228
(E)-4-(4-nitronaphthalen-1-yl)oxybut-2-enoic acid
CID 63690278
[6-(5-fluoro-2-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920512
2,3-bis[(4-nitronaphthalen-1-yl)oxy]anthracene
CID 170552339
4-(4-nitronaphthalen-1-yl)oxybutanoic acid
CID 63690121
3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1,1-dimethylurea
CID 23153022
4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 58532562
6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 107719344

Frequently Asked Questions

What is the IUPAC name of [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid?
The IUPAC name of [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid (CID 91273093) is [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid.
What is the SMILES notation for [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid?
The canonical SMILES for [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid is O=C(O)Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ncn1.
What is the InChIKey of [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid?
The InChIKey is HWZLTEBWAWLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O5/c20-15(21)18-13-7-14(17-8-16-13)24-12-6-5-11(19(22)23)9-3-1-2-4-10(9)12/h1-8H,(H,20,21)(H,16,17,18).
What are the key properties of [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid?
[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid has a molecular weight of 326.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid is sourced from PubChem (CID 91273093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).