6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one

C11H10N4O4 — CID 57009311

IUPAC6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c12-10-7(5-13-11(16)14-10)6-19-9-4-2-1-3-8(9)15(17)18/h1-5H,6H2,(H3,12,13,14,16)
InChIKeyCPRWMIJFXMZRIK-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.84
Rot. Bonds4

About 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one

6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one (PubChem CID 57009311) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one
PubChem CID57009311
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c12-10-7(5-13-11(16)14-10)6-19-9-4-2-1-3-8(9)15(17)18/h1-5H,6H2,(H3,12,13,14,16)
InChIKeyCPRWMIJFXMZRIK-UHFFFAOYSA-N
XLogP0.84
TPSA124.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.84
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

5-[(2-nitrophenoxy)methyl]-1H-pyrimidine-2,4-dione
CID 56983905
4-[(2-nitrophenoxy)methyl]-1,2-oxazole
CID 71413295
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80654595
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene
CID 125465496
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
CID 39528226
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
5-[3-(2-nitrophenoxy)propyl]-1H-imidazole
CID 173130185
2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine
CID 57393357
8-methyl-2-[(2-nitrophenoxy)methyl]-3H-quinazolin-4-one
CID 135823962
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259014

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one (CID 57009311) is 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one?
The InChIKey is CPRWMIJFXMZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c12-10-7(5-13-11(16)14-10)6-19-9-4-2-1-3-8(9)15(17)18/h1-5H,6H2,(H3,12,13,14,16).
What are the key properties of 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one?
6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one has a molecular weight of 262.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 57009311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).