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

C14H23N3O2 — CID 136528518

IUPAC4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCCOC2CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-11-10-12(2)17-14(16-11)15-6-3-7-19-13-4-8-18-9-5-13/h10,13H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyILKMGMPSYMJYRD-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.09
Rot. Bonds6

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

4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine (PubChem CID 136528518) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
PubChem CID136528518
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCCOC2CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-11-10-12(2)17-14(16-11)15-6-3-7-19-13-4-8-18-9-5-13/h10,13H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyILKMGMPSYMJYRD-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 4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine (CID 136528518) is 4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine is Cc1cc(C)nc(NCCCOC2CCOCC2)n1.
What is the InChIKey of 4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine?
The InChIKey is ILKMGMPSYMJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-10-12(2)17-14(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 4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine?
4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-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 4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine is sourced from PubChem (CID 136528518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).