5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol

C13H23N3O2 — CID 114216875

IUPAC5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol
SMILESCCNc1nc(C)nc(OCCCCCO)c1C
InChIInChI=1S/C13H23N3O2/c1-4-14-12-10(2)13(16-11(3)15-12)18-9-7-5-6-8-17/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyCYAXFTSRCYAJBB-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.07
Rot. Bonds8

About 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol

5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol (PubChem CID 114216875) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol.

Molecular Properties

Compound Name5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol
PubChem CID114216875
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol
SMILESCCNc1nc(C)nc(OCCCCCO)c1C
InChIInChI=1S/C13H23N3O2/c1-4-14-12-10(2)13(16-11(3)15-12)18-9-7-5-6-8-17/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyCYAXFTSRCYAJBB-UHFFFAOYSA-N
XLogP2.07
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.07
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

3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
N-ethyl-2,5-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80871549
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 102741293
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
N-ethyl-2,5-dimethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882702
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408396
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061

Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol?
The IUPAC name of 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol (CID 114216875) is 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol.
What is the SMILES notation for 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol?
The canonical SMILES for 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol is CCNc1nc(C)nc(OCCCCCO)c1C.
What is the InChIKey of 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol?
The InChIKey is CYAXFTSRCYAJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-14-12-10(2)13(16-11(3)15-12)18-9-7-5-6-8-17/h17H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol?
5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxypentan-1-ol is sourced from PubChem (CID 114216875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).