6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine

C13H21N3O2 — CID 80876574

IUPAC6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(OC2CCCC(OC)C2)nc(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-15-12(14-2)8-13(16-9)18-11-6-4-5-10(7-11)17-3/h8,10-11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyXNAHUQVAYIZXET-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.16
Rot. Bonds4

About 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine

6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine (PubChem CID 80876574) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine
PubChem CID80876574
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(OC2CCCC(OC)C2)nc(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-15-12(14-2)8-13(16-9)18-11-6-4-5-10(7-11)17-3/h8,10-11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyXNAHUQVAYIZXET-UHFFFAOYSA-N
XLogP2.16
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-methoxycyclohexyl)oxy-2-methylpyrimidin-4-yl]hydrazine
CID 80925248
6-(3-methoxycyclohexyl)oxy-N-methyl-2-propylpyrimidin-4-amine
CID 80949561
6-cyclobutyloxy-2-methyl-N-propylpyrimidin-4-amine
CID 80873247
4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843
2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80965644
2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine
CID 80654151
3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine
CID 79465433
2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 80962626
4-ethoxy-6-(3-methoxycyclohexyl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 80876648
6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine
CID 80876882
6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962707
N-ethyl-2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80873426

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine (CID 80876574) is 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine is CNc1cc(OC2CCCC(OC)C2)nc(C)n1.
What is the InChIKey of 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine?
The InChIKey is XNAHUQVAYIZXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-15-12(14-2)8-13(16-9)18-11-6-4-5-10(7-11)17-3/h8,10-11H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine?
6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80876574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).