(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol

C14H24N2O2 — CID 62087433

IUPAC(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol
SMILESCCCCCCOc1cnc(C(C)C)nc1CO
InChIInChI=1S/C14H24N2O2/c1-4-5-6-7-8-18-13-9-15-14(11(2)3)16-12(13)10-17/h9,11,17H,4-8,10H2,1-3H3
InChIKeyDBDIZKPUQQLFJX-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.05
Rot. Bonds8

About (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol

(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol (PubChem CID 62087433) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol
PubChem CID62087433
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol
SMILESCCCCCCOc1cnc(C(C)C)nc1CO
InChIInChI=1S/C14H24N2O2/c1-4-5-6-7-8-18-13-9-15-14(11(2)3)16-12(13)10-17/h9,11,17H,4-8,10H2,1-3H3
InChIKeyDBDIZKPUQQLFJX-UHFFFAOYSA-N
XLogP3.05
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.05
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

[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087264
N-[[5-(2-methoxyethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
CID 62291090
[5-(4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086538
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556
[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol
CID 116802655
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 55032605
[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087795
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 103285362
8-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyoctan-1-ol
CID 141224322
2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol
CID 82685023

Frequently Asked Questions

What is the IUPAC name of (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol?
The IUPAC name of (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol (CID 62087433) is (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol.
What is the SMILES notation for (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol?
The canonical SMILES for (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol is CCCCCCOc1cnc(C(C)C)nc1CO.
What is the InChIKey of (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol?
The InChIKey is DBDIZKPUQQLFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-6-7-8-18-13-9-15-14(11(2)3)16-12(13)10-17/h9,11,17H,4-8,10H2,1-3H3.
What are the key properties of (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol?
(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol has a molecular weight of 252.36 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol is sourced from PubChem (CID 62087433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).