2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine

C14H23N3O2 — CID 71996247

IUPAC2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine
SMILESCc1cc(NCCCOC2CCOCC2)nc(C)n1
InChIInChI=1S/C14H23N3O2/c1-11-10-14(17-12(2)16-11)15-6-3-7-19-13-4-8-18-9-5-13/h10,13H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyPXXRZLPWHUHMKU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.09
Rot. Bonds6

About 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine

2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine (PubChem CID 71996247) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine
PubChem CID71996247
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine
SMILESCc1cc(NCCCOC2CCOCC2)nc(C)n1
InChIInChI=1S/C14H23N3O2/c1-11-10-14(17-12(2)16-11)15-6-3-7-19-13-4-8-18-9-5-13/h10,13H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyPXXRZLPWHUHMKU-UHFFFAOYSA-N
XLogP2.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.09
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 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine (CID 71996247) is 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine is Cc1cc(NCCCOC2CCOCC2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine?
The InChIKey is PXXRZLPWHUHMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-10-14(17-12(2)16-11)15-6-3-7-19-13-4-8-18-9-5-13/h10,13H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine?
2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine is sourced from PubChem (CID 71996247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).