2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol

C11H19N3O — CID 116895780

IUPAC2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol
SMILESCc1cc(C(C)(C)C)nc(C(N)CO)n1
InChIInChI=1S/C11H19N3O/c1-7-5-9(11(2,3)4)14-10(13-7)8(12)6-15/h5,8,15H,6,12H2,1-4H3
InChIKeyIOURVNJQYFCVQX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol

2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol (PubChem CID 116895780) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol
PubChem CID116895780
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol
SMILESCc1cc(C(C)(C)C)nc(C(N)CO)n1
InChIInChI=1S/C11H19N3O/c1-7-5-9(11(2,3)4)14-10(13-7)8(12)6-15/h5,8,15H,6,12H2,1-4H3
InChIKeyIOURVNJQYFCVQX-UHFFFAOYSA-N
XLogP1.07
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine
CID 63318911
2-amino-2-(4-ethyl-6-methylpyrimidin-2-yl)ethanol
CID 116895777
2,4-ditert-butyl-6-methylpyrimidine
CID 22950955
3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine
CID 116893078
2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine
CID 63321483
2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
CID 63321275
3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63318758
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155
4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
CID 138487090
6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116502971
4-tert-butyl-6-methylpyrimidine-2-carbaldehyde
CID 116894351

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol?
The IUPAC name of 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol (CID 116895780) is 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol is Cc1cc(C(C)(C)C)nc(C(N)CO)n1.
What is the InChIKey of 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol?
The InChIKey is IOURVNJQYFCVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-5-9(11(2,3)4)14-10(13-7)8(12)6-15/h5,8,15H,6,12H2,1-4H3.
What are the key properties of 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol?
2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol is sourced from PubChem (CID 116895780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).