6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine

C18H22N4O3 — CID 22525692

IUPAC6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc(OC3CCCCC3)c2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H22N4O3/c1-12-8-9-15(13(2)10-12)21-17-16(22(23)24)18(20-11-19-17)25-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyOGYWDZSXTZAEGA-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.46
Rot. Bonds5

About 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine

6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine (PubChem CID 22525692) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
PubChem CID22525692
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc(OC3CCCCC3)c2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H22N4O3/c1-12-8-9-15(13(2)10-12)21-17-16(22(23)24)18(20-11-19-17)25-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyOGYWDZSXTZAEGA-UHFFFAOYSA-N
XLogP4.46
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
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

N-(4-bromo-2-fluorophenyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22537743
6-cyclohexyloxy-N-(2-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 22539024
6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527631
N-(1,3-benzodioxol-5-yl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23480737
6-cyclohexyloxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidin-4-amine
CID 22530624
N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23478844
1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine
CID 22526760
4-N-(2,4-dimethylphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486905
methyl 4-[(6-cyclohexyloxy-5-nitropyrimidin-4-yl)amino]benzoate
CID 22533794
dimethyl 5-[(6-cyclohexyloxy-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 23486442
N-(5-bromo-2-pyridinyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22531392
N-(4-butoxyphenyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23495218

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine (CID 22525692) is 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine is Cc1ccc(Nc2ncnc(OC3CCCCC3)c2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine?
The InChIKey is OGYWDZSXTZAEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-8-9-15(13(2)10-12)21-17-16(22(23)24)18(20-11-19-17)25-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine?
6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine has a molecular weight of 342.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22525692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).