6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C16H27N3O2 — CID 80990384

IUPAC6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(OC2CCCC(OC)C2)c1C
InChIInChI=1S/C16H27N3O2/c1-10(2)14-18-15(17-4)11(3)16(19-14)21-13-8-6-7-12(9-13)20-5/h10,12-13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyHIRXSSXMBHOKEB-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.29
Rot. Bonds5

About 6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80990384) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80990384
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(OC2CCCC(OC)C2)c1C
InChIInChI=1S/C16H27N3O2/c1-10(2)14-18-15(17-4)11(3)16(19-14)21-13-8-6-7-12(9-13)20-5/h10,12-13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyHIRXSSXMBHOKEB-UHFFFAOYSA-N
XLogP3.29
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine
CID 80988345
[6-(3-ethylcyclohexyl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001433
6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 102971566
[5-methyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001712
[6-(4,4-dimethylcyclohexyl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114343032
[2-ethyl-6-(3-methoxycyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine
CID 81000204
[5-methyl-6-(1-methylpiperidin-4-yl)oxy-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001207
2-cyclopropyl-N,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80989722
5-ethyl-6-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 80876040
[6-(3-methoxycyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80925378
6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine
CID 114342954
5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876725

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80990384) is 6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(OC2CCCC(OC)C2)c1C.
What is the InChIKey of 6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is HIRXSSXMBHOKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10(2)14-18-15(17-4)11(3)16(19-14)21-13-8-6-7-12(9-13)20-5/h10,12-13H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.29, 5 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,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80990384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).