[4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol

C16H20N2O — CID 116899472

IUPAC[4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol
SMILESCc1cc(C(C)(C)C)ccc1-c1ccnc(CO)n1
InChIInChI=1S/C16H20N2O/c1-11-9-12(16(2,3)4)5-6-13(11)14-7-8-17-15(10-19)18-14/h5-9,19H,10H2,1-4H3
InChIKeyWTTZBBPYEWHFAU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.24
Rot. Bonds2

About [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol

[4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol (PubChem CID 116899472) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol
PubChem CID116899472
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol
SMILESCc1cc(C(C)(C)C)ccc1-c1ccnc(CO)n1
InChIInChI=1S/C16H20N2O/c1-11-9-12(16(2,3)4)5-6-13(11)14-7-8-17-15(10-19)18-14/h5-9,19H,10H2,1-4H3
InChIKeyWTTZBBPYEWHFAU-UHFFFAOYSA-N
XLogP3.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol?
The IUPAC name of [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol (CID 116899472) is [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol is Cc1cc(C(C)(C)C)ccc1-c1ccnc(CO)n1.
What is the InChIKey of [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol?
The InChIKey is WTTZBBPYEWHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-9-12(16(2,3)4)5-6-13(11)14-7-8-17-15(10-19)18-14/h5-9,19H,10H2,1-4H3.
What are the key properties of [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol?
[4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol has a molecular weight of 256.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol is sourced from PubChem (CID 116899472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).