6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine

C20H20N4O3 — CID 22527631

IUPAC6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cccc3ccccc23)ncnc1OC1CCCCC1
InChIInChI=1S/C20H20N4O3/c25-24(26)18-19(21-13-22-20(18)27-15-9-2-1-3-10-15)23-17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-13,15H,1-3,9-10H2,(H,21,22,23)
InChIKeyNLTGWLKYPJOAAC-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.99
Rot. Bonds5

About 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine

6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine (PubChem CID 22527631) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
PubChem CID22527631
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cccc3ccccc23)ncnc1OC1CCCCC1
InChIInChI=1S/C20H20N4O3/c25-24(26)18-19(21-13-22-20(18)27-15-9-2-1-3-10-15)23-17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-13,15H,1-3,9-10H2,(H,21,22,23)
InChIKeyNLTGWLKYPJOAAC-UHFFFAOYSA-N
XLogP4.99
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.99
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

6-cyclohexyloxy-N-(2-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 22539024
1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine
CID 22526760
6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 22525692
N-benzyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23488246
N-(4-bromo-2-fluorophenyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22537743
N-benzhydryl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22534595
N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22538961
6-(4-ethylphenoxy)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527625
N-(5-bromo-2-pyridinyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22531392
6-cyclohexyloxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidin-4-amine
CID 22530624
N-(1,3-benzodioxol-5-yl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23480737
N-(4-butoxyphenyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23495218

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine (CID 22527631) is 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Nc2cccc3ccccc23)ncnc1OC1CCCCC1.
What is the InChIKey of 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
The InChIKey is NLTGWLKYPJOAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-24(26)18-19(21-13-22-20(18)27-15-9-2-1-3-10-15)23-17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-13,15H,1-3,9-10H2,(H,21,22,23).
What are the key properties of 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine has a molecular weight of 364.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22527631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).