1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol

C16H20N2O — CID 2761013

IUPAC1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol
SMILESCC(C)(C)c1ccc(C(O)Cc2ccncn2)cc1
InChIInChI=1S/C16H20N2O/c1-16(2,3)13-6-4-12(5-7-13)15(19)10-14-8-9-17-11-18-14/h4-9,11,15,19H,10H2,1-3H3
InChIKeyPENPEXKNMMNVKA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.05
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol

1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol (PubChem CID 2761013) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol
PubChem CID2761013
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol
SMILESCC(C)(C)c1ccc(C(O)Cc2ccncn2)cc1
InChIInChI=1S/C16H20N2O/c1-16(2,3)13-6-4-12(5-7-13)15(19)10-14-8-9-17-11-18-14/h4-9,11,15,19H,10H2,1-3H3
InChIKeyPENPEXKNMMNVKA-UHFFFAOYSA-N
XLogP3.05
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol (CID 2761013) is 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol is CC(C)(C)c1ccc(C(O)Cc2ccncn2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol?
The InChIKey is PENPEXKNMMNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,3)13-6-4-12(5-7-13)15(19)10-14-8-9-17-11-18-14/h4-9,11,15,19H,10H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol?
1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol has a molecular weight of 256.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol is sourced from PubChem (CID 2761013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).