2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine

C10H14BrN3O2 — CID 115355746

IUPAC2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(N2CCC(Br)C2)n1
InChIInChI=1S/C10H14BrN3O2/c1-15-8-5-9(16-2)13-10(12-8)14-4-3-7(11)6-14/h5,7H,3-4,6H2,1-2H3
InChIKeyMKZHIQUUPRIOJY-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.47
Rot. Bonds3

About 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine

2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine (PubChem CID 115355746) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
PubChem CID115355746
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(N2CCC(Br)C2)n1
InChIInChI=1S/C10H14BrN3O2/c1-15-8-5-9(16-2)13-10(12-8)14-4-3-7(11)6-14/h5,7H,3-4,6H2,1-2H3
InChIKeyMKZHIQUUPRIOJY-UHFFFAOYSA-N
XLogP1.47
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 113293006
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577
2-[4-(chloromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 113293068
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 172880777
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidin-4-amine
CID 115354664
N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074487
2-(3-bromopiperidin-1-yl)-4,6-dimethylpyrimidine
CID 80673034

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine?
The IUPAC name of 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine (CID 115355746) is 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine is COc1cc(OC)nc(N2CCC(Br)C2)n1.
What is the InChIKey of 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine?
The InChIKey is MKZHIQUUPRIOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-15-8-5-9(16-2)13-10(12-8)14-4-3-7(11)6-14/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine?
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine has a molecular weight of 288.14 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 115355746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).