[1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

C14H22BrN3O — CID 102784178

IUPAC[1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cc(Br)nc(C(C)(C)C)n2)C1CO
InChIInChI=1S/C14H22BrN3O/c1-9-5-6-18(10(9)8-19)12-7-11(15)16-13(17-12)14(2,3)4/h7,9-10,19H,5-6,8H2,1-4H3
InChIKeyAOIYNKVCVDWYTL-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.74
Rot. Bonds2

About [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102784178) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102784178
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name[1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cc(Br)nc(C(C)(C)C)n2)C1CO
InChIInChI=1S/C14H22BrN3O/c1-9-5-6-18(10(9)8-19)12-7-11(15)16-13(17-12)14(2,3)4/h7,9-10,19H,5-6,8H2,1-4H3
InChIKeyAOIYNKVCVDWYTL-UHFFFAOYSA-N
XLogP2.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aR,8aR)-1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727553
1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836980
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
[1-(6-hydrazinyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789983
[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789902
[1-(6-aminopyrazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789805
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790003
[1-(2-amino-5-bromopyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789914
1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 114082384
[1-[5-(hydroxymethyl)pyrazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 107372994
[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 102789924
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
CID 102786728

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102784178) is [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2cc(Br)nc(C(C)(C)C)n2)C1CO.
What is the InChIKey of [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is AOIYNKVCVDWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-9-5-6-18(10(9)8-19)12-7-11(15)16-13(17-12)14(2,3)4/h7,9-10,19H,5-6,8H2,1-4H3.
What are the key properties of [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 328.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102784178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).