2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane

C14H26N2O2 — CID 168996406

IUPAC2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane
SMILESCC.CCCCOc1cnc(C(C)(C)CO)nc1
InChIInChI=1S/C12H20N2O2.C2H6/c1-4-5-6-16-10-7-13-11(14-8-10)12(2,3)9-15;1-2/h7-8,15H,4-6,9H2,1-3H3;1-2H3
InChIKeyZRIMXLUZZPUGJD-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.95
Rot. Bonds6

About 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane

2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane (PubChem CID 168996406) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane.

Molecular Properties

Compound Name2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane
PubChem CID168996406
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane
SMILESCC.CCCCOc1cnc(C(C)(C)CO)nc1
InChIInChI=1S/C12H20N2O2.C2H6/c1-4-5-6-16-10-7-13-11(14-8-10)12(2,3)9-15;1-2/h7-8,15H,4-6,9H2,1-3H3;1-2H3
InChIKeyZRIMXLUZZPUGJD-UHFFFAOYSA-N
XLogP2.95
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-butoxypyrimidin-2-yl)ethanol
CID 170050824
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane
CID 168997384
5-butoxy-2-methylpyridine
CID 13154052
6-[2-(4-hexoxyphenyl)pyrimidin-5-yl]oxyhexan-1-ol
CID 18977783
2-bromo-5-butoxypyridine
CID 87199523
1,3,5-tributoxybenzene
CID 15933337
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol
CID 168998496
1-butoxy-3,5-ditert-butylbenzene
CID 57175272
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551

Frequently Asked Questions

What is the IUPAC name of 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane?
The IUPAC name of 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane (CID 168996406) is 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane.
What is the SMILES notation for 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane?
The canonical SMILES for 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane is CC.CCCCOc1cnc(C(C)(C)CO)nc1.
What is the InChIKey of 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane?
The InChIKey is ZRIMXLUZZPUGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.C2H6/c1-4-5-6-16-10-7-13-11(14-8-10)12(2,3)9-15;1-2/h7-8,15H,4-6,9H2,1-3H3;1-2H3.
What are the key properties of 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane?
2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane has a molecular weight of 254.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane is sourced from PubChem (CID 168996406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).