1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol

C10H14BrN3O — CID 131014476

IUPAC1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
SMILESCC1(C)CN(c2ncncc2Br)CC1O
InChIInChI=1S/C10H14BrN3O/c1-10(2)5-14(4-8(10)15)9-7(11)3-12-6-13-9/h3,6,8,15H,4-5H2,1-2H3
InChIKeyWETPUTZAYYXLJT-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.45
Rot. Bonds1

About 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol

1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol (PubChem CID 131014476) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
PubChem CID131014476
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
SMILESCC1(C)CN(c2ncncc2Br)CC1O
InChIInChI=1S/C10H14BrN3O/c1-10(2)5-14(4-8(10)15)9-7(11)3-12-6-13-9/h3,6,8,15H,4-5H2,1-2H3
InChIKeyWETPUTZAYYXLJT-UHFFFAOYSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol (CID 131014476) is 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol is CC1(C)CN(c2ncncc2Br)CC1O.
What is the InChIKey of 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol?
The InChIKey is WETPUTZAYYXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-10(2)5-14(4-8(10)15)9-7(11)3-12-6-13-9/h3,6,8,15H,4-5H2,1-2H3.
What are the key properties of 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol?
1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol has a molecular weight of 272.15 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 131014476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).