N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine

C12H18N4O3 — CID 80860966

IUPACN-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(OC2CCCC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-8-4-3-5-9(6-8)19-12-10(16(17)18)11(13-2)14-7-15-12/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLATCTZGUYFZJDU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.38
Rot. Bonds4

About N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine

N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine (PubChem CID 80860966) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine
PubChem CID80860966
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(OC2CCCC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-8-4-3-5-9(6-8)19-12-10(16(17)18)11(13-2)14-7-15-12/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLATCTZGUYFZJDU-UHFFFAOYSA-N
XLogP2.38
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.38
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-methyl-5-nitro-6-(oxolan-3-yloxy)pyrimidin-4-amine
CID 80876206
N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23478844
N-methyl-6-(3-methylcyclohexyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80889990
1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine
CID 22526760
6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 22525692
4-N-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
tert-butyl 3-[6-(methylamino)-5-nitropyrimidin-4-yl]oxypyrrolidine-1-carboxylate
CID 90158460
N-benzyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23488246
N-benzhydryl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22534595
N-methyl-6-[(2-methylpropan-2-yl)oxy]-5-nitropyrimidin-4-amine
CID 80861886
dimethyl 5-[(6-cyclohexyloxy-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 23486442

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine?
The IUPAC name of N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine (CID 80860966) is N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine is CNc1ncnc(OC2CCCC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine?
The InChIKey is LATCTZGUYFZJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-4-3-5-9(6-8)19-12-10(16(17)18)11(13-2)14-7-15-12/h7-9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine?
N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine has a molecular weight of 266.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80860966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).