2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide

C12H11N5O4 — CID 107551054

IUPAC2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(OC)cc2[N+](=O)[O-])n1
InChIInChI=1S/C12H11N5O4/c1-20-7-2-3-10(9(6-7)17(18)19)21-12-15-5-4-8(16-12)11(13)14/h2-6H,1H3,(H3,13,14)
InChIKeyWUBPRZFGHKDLJT-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.47
Rot. Bonds5

About 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide

2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide (PubChem CID 107551054) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
PubChem CID107551054
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(OC)cc2[N+](=O)[O-])n1
InChIInChI=1S/C12H11N5O4/c1-20-7-2-3-10(9(6-7)17(18)19)21-12-15-5-4-8(16-12)11(13)14/h2-6H,1H3,(H3,13,14)
InChIKeyWUBPRZFGHKDLJT-UHFFFAOYSA-N
XLogP1.47
TPSA137.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554877
2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551290
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551129
2-(2-methyl-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551225
6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61031687
2-(3-methyl-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551063
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745
2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551192
2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
CID 107551013
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide (CID 107551054) is 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc(OC)cc2[N+](=O)[O-])n1.
What is the InChIKey of 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide?
The InChIKey is WUBPRZFGHKDLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c1-20-7-2-3-10(9(6-7)17(18)19)21-12-15-5-4-8(16-12)11(13)14/h2-6H,1H3,(H3,13,14).
What are the key properties of 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide?
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide has a molecular weight of 289.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).