2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine

C15H25N3O3 — CID 63824614

IUPAC2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
SMILESCOc1ncnc(OC)c1CNCCOC1CCCCC1
InChIInChI=1S/C15H25N3O3/c1-19-14-13(15(20-2)18-11-17-14)10-16-8-9-21-12-6-4-3-5-7-12/h11-12,16H,3-10H2,1-2H3
InChIKeyTURPESYHLLOTHC-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.93
Rot. Bonds8

About 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine

2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine (PubChem CID 63824614) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
PubChem CID63824614
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
SMILESCOc1ncnc(OC)c1CNCCOC1CCCCC1
InChIInChI=1S/C15H25N3O3/c1-19-14-13(15(20-2)18-11-17-14)10-16-8-9-21-12-6-4-3-5-7-12/h11-12,16H,3-10H2,1-2H3
InChIKeyTURPESYHLLOTHC-UHFFFAOYSA-N
XLogP1.93
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 60919921
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 55220028
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
CID 83209239
6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol
CID 107848836
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine
CID 43709373
2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 63825157
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115767735
4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine
CID 55062386
4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80819121

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine (CID 63824614) is 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine is COc1ncnc(OC)c1CNCCOC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine?
The InChIKey is TURPESYHLLOTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-19-14-13(15(20-2)18-11-17-14)10-16-8-9-21-12-6-4-3-5-7-12/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine?
2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine has a molecular weight of 295.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 63824614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).