(1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol

C13H14N2O2 — CID 6989288

IUPAC(1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol
SMILESCOc1ccc([C@@H](O)Cc2ccncn2)cc1
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-10(3-5-12)13(16)8-11-6-7-14-9-15-11/h2-7,9,13,16H,8H2,1H3/t13-/m0/s1
InChIKeyNCDZMQADLRAVOK-ZDUSSCGKSA-N
MW230.27 g/mol
LogP1.76
Rot. Bonds4

About (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol

(1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol (PubChem CID 6989288) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol
PubChem CID6989288
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol
SMILESCOc1ccc([C@@H](O)Cc2ccncn2)cc1
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-10(3-5-12)13(16)8-11-6-7-14-9-15-11/h2-7,9,13,16H,8H2,1H3/t13-/m0/s1
InChIKeyNCDZMQADLRAVOK-ZDUSSCGKSA-N
XLogP1.76
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol (CID 6989288) is (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol is COc1ccc([C@@H](O)Cc2ccncn2)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol?
The InChIKey is NCDZMQADLRAVOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12-4-2-10(3-5-12)13(16)8-11-6-7-14-9-15-11/h2-7,9,13,16H,8H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol?
(1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol has a molecular weight of 230.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol is sourced from PubChem (CID 6989288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).