1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol

C9H12BrN3O2 — CID 130647206

IUPAC1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(c2ncncc2Br)C1
InChIInChI=1S/C9H12BrN3O2/c10-7-3-11-6-12-8(7)13-2-1-9(15,4-13)5-14/h3,6,14-15H,1-2,4-5H2
InChIKeyNLSPWQGNNGSNDV-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.17
Rot. Bonds2

About 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol

1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 130647206) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID130647206
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(c2ncncc2Br)C1
InChIInChI=1S/C9H12BrN3O2/c10-7-3-11-6-12-8(7)13-2-1-9(15,4-13)5-14/h3,6,14-15H,1-2,4-5H2
InChIKeyNLSPWQGNNGSNDV-UHFFFAOYSA-N
XLogP0.17
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol
CID 66319738
1-(5-bromopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407437
2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66342072
1-(5-bromopyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-ol
CID 131113920
1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
CID 131014476
5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
CID 130742383
5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 66341717
4-(5-bromopyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 66319749
(3R)-3-methyl-1-(5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126704475
[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol
CID 100693917
5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 66342373
4-(5-bromopyrimidin-4-yl)-1,4-diazepane-1-carboxamide
CID 146090139

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol (CID 130647206) is 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol is OCC1(O)CCN(c2ncncc2Br)C1.
What is the InChIKey of 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is NLSPWQGNNGSNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-7-3-11-6-12-8(7)13-2-1-9(15,4-13)5-14/h3,6,14-15H,1-2,4-5H2.
What are the key properties of 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol?
1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 274.12 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-4-yl)-3-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 130647206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).