(3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol

C14H20BrN3O — CID 95314610

IUPAC(3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](C2CCCCC2)N(c2ncc(Br)cn2)C1
InChIInChI=1S/C14H20BrN3O/c15-11-7-16-14(17-8-11)18-9-12(19)6-13(18)10-4-2-1-3-5-10/h7-8,10,12-13,19H,1-6,9H2/t12-,13-/m1/s1
InChIKeyWAEXCYYUSBKFCF-CHWSQXEVSA-N
MW326.24 g/mol
LogP2.76
Rot. Bonds2

About (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol

(3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol (PubChem CID 95314610) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol
PubChem CID95314610
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name(3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](C2CCCCC2)N(c2ncc(Br)cn2)C1
InChIInChI=1S/C14H20BrN3O/c15-11-7-16-14(17-8-11)18-9-12(19)6-13(18)10-4-2-1-3-5-10/h7-8,10,12-13,19H,1-6,9H2/t12-,13-/m1/s1
InChIKeyWAEXCYYUSBKFCF-CHWSQXEVSA-N
XLogP2.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol (CID 95314610) is (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol is O[C@@H]1C[C@H](C2CCCCC2)N(c2ncc(Br)cn2)C1.
What is the InChIKey of (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol?
The InChIKey is WAEXCYYUSBKFCF-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-11-7-16-14(17-8-11)18-9-12(19)6-13(18)10-4-2-1-3-5-10/h7-8,10,12-13,19H,1-6,9H2/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol?
(3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol has a molecular weight of 326.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(5-bromopyrimidin-2-yl)-5-cyclohexylpyrrolidin-3-ol is sourced from PubChem (CID 95314610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).