4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine

C13H22N4O3 — CID 115355335

IUPAC4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCOC2CCNCC2)n1
InChIInChI=1S/C13H22N4O3/c1-18-11-9-12(19-2)17-13(16-11)15-7-8-20-10-3-5-14-6-4-10/h9-10,14H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJNFWFDIBTOZUDW-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.67
Rot. Bonds7

About 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine

4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine (PubChem CID 115355335) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
PubChem CID115355335
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCOC2CCNCC2)n1
InChIInChI=1S/C13H22N4O3/c1-18-11-9-12(19-2)17-13(16-11)15-7-8-20-10-3-5-14-6-4-10/h9-10,14H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJNFWFDIBTOZUDW-UHFFFAOYSA-N
XLogP0.67
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine (CID 115355335) is 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine is COc1cc(OC)nc(NCCOC2CCNCC2)n1.
What is the InChIKey of 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The InChIKey is JNFWFDIBTOZUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-18-11-9-12(19-2)17-13(16-11)15-7-8-20-10-3-5-14-6-4-10/h9-10,14H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine has a molecular weight of 282.34 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 115355335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).