1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol

C14H16N2O2 — CID 62769972

IUPAC1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(COc2ccccc2)ncc1C(C)O
InChIInChI=1S/C14H16N2O2/c1-10-13(11(2)17)8-15-14(16-10)9-18-12-6-4-3-5-7-12/h3-8,11,17H,9H2,1-2H3
InChIKeyRJZANCNLHLMJIP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.42
Rot. Bonds4

About 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol

1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol (PubChem CID 62769972) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol
PubChem CID62769972
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(COc2ccccc2)ncc1C(C)O
InChIInChI=1S/C14H16N2O2/c1-10-13(11(2)17)8-15-14(16-10)9-18-12-6-4-3-5-7-12/h3-8,11,17H,9H2,1-2H3
InChIKeyRJZANCNLHLMJIP-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol (CID 62769972) is 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol is Cc1nc(COc2ccccc2)ncc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol?
The InChIKey is RJZANCNLHLMJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-13(11(2)17)8-15-14(16-10)9-18-12-6-4-3-5-7-12/h3-8,11,17H,9H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol?
1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol has a molecular weight of 244.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 62769972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).