[5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol

C20H28N2O — CID 160904749

IUPAC[5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2CO)nc(C)c1C(C)C
InChIInChI=1S/C20H28N2O/c1-12(2)18-13(3)21-19(22-14(18)4)17-9-8-16(20(5,6)7)10-15(17)11-23/h8-10,12,23H,11H2,1-7H3
InChIKeyKKYTYABMKJOSCK-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.67
Rot. Bonds3

About [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol

[5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol (PubChem CID 160904749) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol
PubChem CID160904749
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name[5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2CO)nc(C)c1C(C)C
InChIInChI=1S/C20H28N2O/c1-12(2)18-13(3)21-19(22-14(18)4)17-9-8-16(20(5,6)7)10-15(17)11-23/h8-10,12,23H,11H2,1-7H3
InChIKeyKKYTYABMKJOSCK-UHFFFAOYSA-N
XLogP4.67
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-(2-methylbutan-2-yl)phenyl]-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 155354355
4-amino-2-[4-tert-butyl-2-(hydroxymethyl)phenyl]-6-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-(sulfamoylamino)but-3-en-2-yl]pyrimidine-5-carboxamide
CID 155732101
6-tert-butyl-4-chloro-2-methyl-3-propan-2-ylquinoline
CID 63408659
2-(4-tert-butyl-2-hydroxyphenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 153315877
[4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol
CID 116899472
2-(2,4-dimethylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913279
N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 81272931
[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 66837706
4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 155338271
4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol
CID 135974008
2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 107281416
[2-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649051

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol?
The IUPAC name of [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol (CID 160904749) is [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol.
What is the SMILES notation for [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol?
The canonical SMILES for [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol is Cc1nc(-c2ccc(C(C)(C)C)cc2CO)nc(C)c1C(C)C.
What is the InChIKey of [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol?
The InChIKey is KKYTYABMKJOSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-12(2)18-13(3)21-19(22-14(18)4)17-9-8-16(20(5,6)7)10-15(17)11-23/h8-10,12,23H,11H2,1-7H3.
What are the key properties of [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol?
[5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol has a molecular weight of 312.46 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-2-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)phenyl]methanol is sourced from PubChem (CID 160904749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).