N-(2-cyclohexyloxyethyl)pyrimidin-2-amine

C12H19N3O — CID 62195982

IUPACN-(2-cyclohexyloxyethyl)pyrimidin-2-amine
SMILESc1cnc(NCCOC2CCCCC2)nc1
InChIInChI=1S/C12H19N3O/c1-2-5-11(6-3-1)16-10-9-15-12-13-7-4-8-14-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,13,14,15)
InChIKeyIJRPPYIRLHTQBR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)pyrimidin-2-amine

N-(2-cyclohexyloxyethyl)pyrimidin-2-amine (PubChem CID 62195982) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)pyrimidin-2-amine
PubChem CID62195982
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-cyclohexyloxyethyl)pyrimidin-2-amine
SMILESc1cnc(NCCOC2CCCCC2)nc1
InChIInChI=1S/C12H19N3O/c1-2-5-11(6-3-1)16-10-9-15-12-13-7-4-8-14-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,13,14,15)
InChIKeyIJRPPYIRLHTQBR-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
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-cyclohexyloxyethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)pyrimidin-2-amine (CID 62195982) is N-(2-cyclohexyloxyethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)pyrimidin-2-amine is c1cnc(NCCOC2CCCCC2)nc1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)pyrimidin-2-amine?
The InChIKey is IJRPPYIRLHTQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-5-11(6-3-1)16-10-9-15-12-13-7-4-8-14-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,13,14,15).
What are the key properties of N-(2-cyclohexyloxyethyl)pyrimidin-2-amine?
N-(2-cyclohexyloxyethyl)pyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 62195982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).