2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol

C16H30N4O2 — CID 5276804

IUPAC2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCCCCCCc1c(C)nc(NC)nc1NCCOCCO
InChIInChI=1S/C16H30N4O2/c1-4-5-6-7-8-14-13(2)19-16(17-3)20-15(14)18-9-11-22-12-10-21/h21H,4-12H2,1-3H3,(H2,17,18,19,20)
InChIKeyFMVCYEBYPYSXPB-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.37
Rot. Bonds12

About 2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol

2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol (PubChem CID 5276804) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
PubChem CID5276804
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCCCCCCc1c(C)nc(NC)nc1NCCOCCO
InChIInChI=1S/C16H30N4O2/c1-4-5-6-7-8-14-13(2)19-16(17-3)20-15(14)18-9-11-22-12-10-21/h21H,4-12H2,1-3H3,(H2,17,18,19,20)
InChIKeyFMVCYEBYPYSXPB-UHFFFAOYSA-N
XLogP2.37
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol (CID 5276804) is 2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol is CCCCCCc1c(C)nc(NC)nc1NCCOCCO.
What is the InChIKey of 2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is FMVCYEBYPYSXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-4-5-6-7-8-14-13(2)19-16(17-3)20-15(14)18-9-11-22-12-10-21/h21H,4-12H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 310.44 g/mol, XLogP of 2.37, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 5276804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).