4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol

C11H19N3O2 — CID 106842653

IUPAC4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
SMILESCCOc1cc(C)nc(NCCCCO)n1
InChIInChI=1S/C11H19N3O2/c1-3-16-10-8-9(2)13-11(14-10)12-6-4-5-7-15/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyGOABJNLHQMUILD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.37
Rot. Bonds7

About 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol

4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol (PubChem CID 106842653) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
PubChem CID106842653
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
SMILESCCOc1cc(C)nc(NCCCCO)n1
InChIInChI=1S/C11H19N3O2/c1-3-16-10-8-9(2)13-11(14-10)12-6-4-5-7-15/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyGOABJNLHQMUILD-UHFFFAOYSA-N
XLogP1.37
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 114127734
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
4-ethoxy-6-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 5066040
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol (CID 106842653) is 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol is CCOc1cc(C)nc(NCCCCO)n1.
What is the InChIKey of 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol?
The InChIKey is GOABJNLHQMUILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-16-10-8-9(2)13-11(14-10)12-6-4-5-7-15/h8,15H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol?
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 106842653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).