1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine

C14H23N3O — CID 114216980

IUPAC1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine
SMILESCCC1CCCCC1Oc1ncncc1CNC
InChIInChI=1S/C14H23N3O/c1-3-11-6-4-5-7-13(11)18-14-12(8-15-2)9-16-10-17-14/h9-11,13,15H,3-8H2,1-2H3
InChIKeyUHYUHZNGCVSJJE-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.54
Rot. Bonds5

About 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine

1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine (PubChem CID 114216980) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine
PubChem CID114216980
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine
SMILESCCC1CCCCC1Oc1ncncc1CNC
InChIInChI=1S/C14H23N3O/c1-3-11-6-4-5-7-13(11)18-14-12(8-15-2)9-16-10-17-14/h9-11,13,15H,3-8H2,1-2H3
InChIKeyUHYUHZNGCVSJJE-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 62289951
1-[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 107741690
[2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine
CID 66319999
[2-(2-ethylcyclohexyl)oxy-3-pyridinyl]methanol
CID 55151661
5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyrimidine
CID 114215576
5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine
CID 80858975
N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
CID 79776260
N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81254183
N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine
CID 114217117
N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83186105
N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777271
5-chloro-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 114676101

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine (CID 114216980) is 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine is CCC1CCCCC1Oc1ncncc1CNC.
What is the InChIKey of 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is UHYUHZNGCVSJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-11-6-4-5-7-13(11)18-14-12(8-15-2)9-16-10-17-14/h9-11,13,15H,3-8H2,1-2H3.
What are the key properties of 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine?
1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylcyclohexyl)oxypyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114216980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).