3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol

C13H14N2O3 — CID 114016157

IUPAC3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol
SMILESCOC(OC)c1ccnc(-c2cccc(O)c2)n1
InChIInChI=1S/C13H14N2O3/c1-17-13(18-2)11-6-7-14-12(15-11)9-4-3-5-10(16)8-9/h3-8,13,16H,1-2H3
InChIKeyWBYVKCHAZWNNMX-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.14
Rot. Bonds4

About 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol

3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol (PubChem CID 114016157) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol
PubChem CID114016157
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol
SMILESCOC(OC)c1ccnc(-c2cccc(O)c2)n1
InChIInChI=1S/C13H14N2O3/c1-17-13(18-2)11-6-7-14-12(15-11)9-4-3-5-10(16)8-9/h3-8,13,16H,1-2H3
InChIKeyWBYVKCHAZWNNMX-UHFFFAOYSA-N
XLogP2.14
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol (CID 114016157) is 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol is COC(OC)c1ccnc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol?
The InChIKey is WBYVKCHAZWNNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-13(18-2)11-6-7-14-12(15-11)9-4-3-5-10(16)8-9/h3-8,13,16H,1-2H3.
What are the key properties of 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol?
3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol has a molecular weight of 246.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 114016157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).