5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine

C10H14BrN3 — CID 127430201

IUPAC5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncc(Br)cn2)C1C
InChIInChI=1S/C10H14BrN3/c1-7-3-4-14(8(7)2)10-12-5-9(11)6-13-10/h5-8H,3-4H2,1-2H3
InChIKeySDGHHDKUZKUEDM-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.47
Rot. Bonds1

About 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine

5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine (PubChem CID 127430201) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine
PubChem CID127430201
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncc(Br)cn2)C1C
InChIInChI=1S/C10H14BrN3/c1-7-3-4-14(8(7)2)10-12-5-9(11)6-13-10/h5-8H,3-4H2,1-2H3
InChIKeySDGHHDKUZKUEDM-UHFFFAOYSA-N
XLogP2.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-amine
CID 115313485
[1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961719
tert-butyl N-[1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395587
5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
CID 130534027
5-bromo-2-[2-(chloromethyl)piperidin-1-yl]pyrimidine
CID 63873826
7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane
CID 131198946
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
1-[(3R)-4-(5-bromopyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
CID 122617208
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine
CID 133332634
5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine
CID 133404090
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine (CID 127430201) is 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine is CC1CCN(c2ncc(Br)cn2)C1C.
What is the InChIKey of 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine?
The InChIKey is SDGHHDKUZKUEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-7-3-4-14(8(7)2)10-12-5-9(11)6-13-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine?
5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine has a molecular weight of 256.15 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 127430201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).