[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol

C10H14BrN3O2 — CID 128970907

IUPAC[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(c2ncc(Br)cn2)C1
InChIInChI=1S/C10H14BrN3O2/c1-16-9-2-8(6-15)14(5-9)10-12-3-7(11)4-13-10/h3-4,8-9,15H,2,5-6H2,1H3/t8-,9+/m0/s1
InChIKeySWUYTDKDDRUGHT-DTWKUNHWSA-N
MW288.14 g/mol
LogP0.83
Rot. Bonds3

About [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol

[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 128970907) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
PubChem CID128970907
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(c2ncc(Br)cn2)C1
InChIInChI=1S/C10H14BrN3O2/c1-16-9-2-8(6-15)14(5-9)10-12-3-7(11)4-13-10/h3-4,8-9,15H,2,5-6H2,1H3/t8-,9+/m0/s1
InChIKeySWUYTDKDDRUGHT-DTWKUNHWSA-N
XLogP0.83
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978209
5-bromo-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine
CID 128979202
4-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128978115
2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 128978208
6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128975814
[(2S,4R)-4-methoxy-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]pyrrolidin-2-yl]methanol
CID 138033552
[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978432
(5-bromo-2-pyridinyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984373
(5-bromo-2-pyridinyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128982509
[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 128975816
[(2S,4R)-1-[(4-bromo-2-methoxyphenyl)methyl]-4-methoxypyrrolidin-2-yl]methanol
CID 128980030
[(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978147

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol (CID 128970907) is [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(c2ncc(Br)cn2)C1.
What is the InChIKey of [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is SWUYTDKDDRUGHT-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-16-9-2-8(6-15)14(5-9)10-12-3-7(11)4-13-10/h3-4,8-9,15H,2,5-6H2,1H3/t8-,9+/m0/s1.
What are the key properties of [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 288.14 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 128970907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).