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

C15H25N3O2 — CID 60919921

IUPAC2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
SMILESCOc1ncnc(OC)c1CNCCC1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-19-14-13(15(20-2)18-11-17-14)10-16-9-8-12-6-4-3-5-7-12/h11-12,16H,3-10H2,1-2H3
InChIKeyHZEXQHVAFFSOFN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.55
Rot. Bonds7

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

2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine (PubChem CID 60919921) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
PubChem CID60919921
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
SMILESCOc1ncnc(OC)c1CNCCC1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-19-14-13(15(20-2)18-11-17-14)10-16-9-8-12-6-4-3-5-7-12/h11-12,16H,3-10H2,1-2H3
InChIKeyHZEXQHVAFFSOFN-UHFFFAOYSA-N
XLogP2.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine (CID 60919921) is 2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine is COc1ncnc(OC)c1CNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine?
The InChIKey is HZEXQHVAFFSOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-19-14-13(15(20-2)18-11-17-14)10-16-9-8-12-6-4-3-5-7-12/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine?
2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 60919921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).