N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine

C16H27N3O — CID 102951887

IUPACN-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H27N3O/c1-5-17-16(13-7-11(2)6-12(3)8-13)14-9-15(20-4)19-10-18-14/h9-13,16-17H,5-8H2,1-4H3
InChIKeyKZMNRNMYINQILT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.21
Rot. Bonds5

About N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine

N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (PubChem CID 102951887) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
PubChem CID102951887
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H27N3O/c1-5-17-16(13-7-11(2)6-12(3)8-13)14-9-15(20-4)19-10-18-14/h9-13,16-17H,5-8H2,1-4H3
InChIKeyKZMNRNMYINQILT-UHFFFAOYSA-N
XLogP3.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 64731117
N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952243
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952192
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
N-ethyl-1-(6-methoxypyrimidin-4-yl)-2-methylbutan-1-amine
CID 102951564
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487
N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503952
N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine
CID 102951459
[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953192
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879
N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951759

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (CID 102951887) is N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is CCNC(c1cc(OC)ncn1)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The InChIKey is KZMNRNMYINQILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-17-16(13-7-11(2)6-12(3)8-13)14-9-15(20-4)19-10-18-14/h9-13,16-17H,5-8H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 102951887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).