[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol

C14H16N2O2 — CID 116893816

IUPAC[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol
SMILESCCOc1ccc(-c2cc(C)nc(CO)n2)cc1
InChIInChI=1S/C14H16N2O2/c1-3-18-12-6-4-11(5-7-12)13-8-10(2)15-14(9-17)16-13/h4-8,17H,3,9H2,1-2H3
InChIKeyTXEUDBPUQQTWMG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.34
Rot. Bonds4

About [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol

[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol (PubChem CID 116893816) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol
PubChem CID116893816
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol
SMILESCCOc1ccc(-c2cc(C)nc(CO)n2)cc1
InChIInChI=1S/C14H16N2O2/c1-3-18-12-6-4-11(5-7-12)13-8-10(2)15-14(9-17)16-13/h4-8,17H,3,9H2,1-2H3
InChIKeyTXEUDBPUQQTWMG-UHFFFAOYSA-N
XLogP2.34
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol (CID 116893816) is [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol is CCOc1ccc(-c2cc(C)nc(CO)n2)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol?
The InChIKey is TXEUDBPUQQTWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-18-12-6-4-11(5-7-12)13-8-10(2)15-14(9-17)16-13/h4-8,17H,3,9H2,1-2H3.
What are the key properties of [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol?
[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol has a molecular weight of 244.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 116893816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).