N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine

C14H23N3O — CID 62749540

IUPACN-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccnc(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-18-10-9-15-11-13-7-8-16-14(17-13)12-5-3-2-4-6-12/h7-8,12,15H,2-6,9-11H2,1H3
InChIKeyDJDXRQNODURIHV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.26
Rot. Bonds6

About N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine

N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine (PubChem CID 62749540) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine
PubChem CID62749540
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccnc(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-18-10-9-15-11-13-7-8-16-14(17-13)12-5-3-2-4-6-12/h7-8,12,15H,2-6,9-11H2,1H3
InChIKeyDJDXRQNODURIHV-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine (CID 62749540) is N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine is COCCNCc1ccnc(C2CCCCC2)n1.
What is the InChIKey of N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is DJDXRQNODURIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-10-9-15-11-13-7-8-16-14(17-13)12-5-3-2-4-6-12/h7-8,12,15H,2-6,9-11H2,1H3.
What are the key properties of N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine?
N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylpyrimidin-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62749540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).