[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol

C14H16N2O3 — CID 83184389

IUPAC[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol
SMILESCc1nc(OCCOc2ccccc2)ncc1CO
InChIInChI=1S/C14H16N2O3/c1-11-12(10-17)9-15-14(16-11)19-8-7-18-13-5-3-2-4-6-13/h2-6,9,17H,7-8,10H2,1H3
InChIKeyPAEFHNIOQUFBCM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.74
Rot. Bonds6

About [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol

[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol (PubChem CID 83184389) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol
PubChem CID83184389
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol
SMILESCc1nc(OCCOc2ccccc2)ncc1CO
InChIInChI=1S/C14H16N2O3/c1-11-12(10-17)9-15-14(16-11)19-8-7-18-13-5-3-2-4-6-13/h2-6,9,17H,7-8,10H2,1H3
InChIKeyPAEFHNIOQUFBCM-UHFFFAOYSA-N
XLogP1.74
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol (CID 83184389) is [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol is Cc1nc(OCCOc2ccccc2)ncc1CO.
What is the InChIKey of [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol?
The InChIKey is PAEFHNIOQUFBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-11-12(10-17)9-15-14(16-11)19-8-7-18-13-5-3-2-4-6-13/h2-6,9,17H,7-8,10H2,1H3.
What are the key properties of [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol?
[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol has a molecular weight of 260.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).