N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine

C14H22N4O3 — CID 23478844

IUPACN-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
SMILESCC(C)(C)Nc1ncnc(OC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-14(2,3)17-12-11(18(19)20)13(16-9-15-12)21-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyRNDDZDLJRPFICI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.31
Rot. Bonds4

About N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine

N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine (PubChem CID 23478844) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
PubChem CID23478844
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
SMILESCC(C)(C)Nc1ncnc(OC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-14(2,3)17-12-11(18(19)20)13(16-9-15-12)21-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyRNDDZDLJRPFICI-UHFFFAOYSA-N
XLogP3.31
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.31
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-benzyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23488246
1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine
CID 22526760
6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 22525692
N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine
CID 80860966
N-benzhydryl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22534595
N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22538961
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
6-cyclohexyloxy-N-(2-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 22539024
N-(4-butoxyphenyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23495218
6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527631

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine (CID 23478844) is N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine is CC(C)(C)Nc1ncnc(OC2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine?
The InChIKey is RNDDZDLJRPFICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)17-12-11(18(19)20)13(16-9-15-12)21-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine?
N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine has a molecular weight of 294.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23478844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).