5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine

C9H12BrN3O — CID 103726579

IUPAC5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1nc(N2CCCC2)ncc1Br
InChIInChI=1S/C9H12BrN3O/c1-14-8-7(10)6-11-9(12-8)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKeyQXIFBKHCIVOSDG-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.85
Rot. Bonds2

About 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine

5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine (PubChem CID 103726579) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
PubChem CID103726579
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1nc(N2CCCC2)ncc1Br
InChIInChI=1S/C9H12BrN3O/c1-14-8-7(10)6-11-9(12-8)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKeyQXIFBKHCIVOSDG-UHFFFAOYSA-N
XLogP1.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-4-methoxypyrimidin-2-yl)-3-azaspiro[5.5]undecane
CID 106998896
4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 103745953
5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103746059
2-[4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 113253598
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655
3-[4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 106997338
1-[4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 171334016
1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992933
5-bromo-4-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 103738856
1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690356
(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
CID 69088090
2-(5-bromo-4-methoxypyrimidin-2-yl)-1,3-dihydroisoindole
CID 113253600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine (CID 103726579) is 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine is COc1nc(N2CCCC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is QXIFBKHCIVOSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-14-8-7(10)6-11-9(12-8)13-4-2-3-5-13/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine?
5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 258.12 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 103726579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).