N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine

C11H8N4O2 — CID 142915694

IUPACN-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine
SMILESC=Nc1nccc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H8N4O2/c1-12-11-13-7-6-10(14-11)8-2-4-9(5-3-8)15(16)17/h2-7H,1H2
InChIKeyWMQQMBZSXUTYCB-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.38
Rot. Bonds3

About N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine

N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine (PubChem CID 142915694) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine.

Molecular Properties

Compound NameN-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine
PubChem CID142915694
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC NameN-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine
SMILESC=Nc1nccc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H8N4O2/c1-12-11-13-7-6-10(14-11)8-2-4-9(5-3-8)15(16)17/h2-7H,1H2
InChIKeyWMQQMBZSXUTYCB-UHFFFAOYSA-N
XLogP2.38
TPSA81.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

3-[4-(4-nitrophenyl)pyrimidin-2-yl]propanoic acid
CID 22115318
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole
CID 66493749
4-(4-nitrophenyl)oxadiazole
CID 18950797
2-bromo-4-(4-nitrophenyl)-1,3-oxazole
CID 102974582
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710
2-(4-nitrophenyl)-1H-pyrimidin-6-one
CID 43654581
4-nitropyridine;hydrate
CID 132647818
1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol
CID 66490091
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
2-(4-nitrophenyl)-1H-pyrimidine-6-thione
CID 106476417

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine?
The IUPAC name of N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine (CID 142915694) is N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine.
What is the SMILES notation for N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine?
The canonical SMILES for N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine is C=Nc1nccc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine?
The InChIKey is WMQQMBZSXUTYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-12-11-13-7-6-10(14-11)8-2-4-9(5-3-8)15(16)17/h2-7H,1H2.
What are the key properties of N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine?
N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine has a molecular weight of 228.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-nitrophenyl)pyrimidin-2-yl]methanimine is sourced from PubChem (CID 142915694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).