4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine

C13H21N3O — CID 80876393

IUPAC4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
SMILESCCC1CCCC(Oc2ccnc(NC)n2)C1
InChIInChI=1S/C13H21N3O/c1-3-10-5-4-6-11(9-10)17-12-7-8-15-13(14-2)16-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyOYSHWZDBBRQOSB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.87
Rot. Bonds4

About 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine

4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine (PubChem CID 80876393) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
PubChem CID80876393
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
SMILESCCC1CCCC(Oc2ccnc(NC)n2)C1
InChIInChI=1S/C13H21N3O/c1-3-10-5-4-6-11(9-10)17-12-7-8-15-13(14-2)16-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyOYSHWZDBBRQOSB-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine
CID 113368158
4-cyclohexyloxy-N-ethylpyrimidin-2-amine
CID 80858273
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
CID 112637934
4-cycloheptyloxy-N-propylpyrimidin-2-amine
CID 80871966
(4-cyclobutyloxypyrimidin-2-yl)hydrazine
CID 80930849
[4-(3-methoxycyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80925744
N-methyl-4-pyrrolidin-3-yloxypyrimidin-2-amine
CID 175996386
(4-cyclohexyloxypyrimidin-2-yl)hydrazine
CID 80909755
6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine
CID 80876542
4-N-[(4-ethylcyclohexyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80818859
N-[[6-(3-ethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66467051
6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide
CID 64595989

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine (CID 80876393) is 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine is CCC1CCCC(Oc2ccnc(NC)n2)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine?
The InChIKey is OYSHWZDBBRQOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10-5-4-6-11(9-10)17-12-7-8-15-13(14-2)16-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine?
4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80876393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).