1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C11H17BrN4 — CID 106321701

IUPAC1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C11H17BrN4/c1-11(7-13-2)3-4-16(8-11)10-14-5-9(12)6-15-10/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyAVANEVTVMMAAAH-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.67
Rot. Bonds3

About 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106321701) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106321701
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C11H17BrN4/c1-11(7-13-2)3-4-16(8-11)10-14-5-9(12)6-15-10/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyAVANEVTVMMAAAH-UHFFFAOYSA-N
XLogP1.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321819
5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane
CID 131000915
N-methyl-1-(3-methyl-1-pyridin-4-ylpyrrolidin-3-yl)methanamine
CID 106321908
1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321981
N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 106321862
2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine
CID 131010619
N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 106321971
1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine
CID 106321968
7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane
CID 138050031
1-[1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321805
4-(5-bromopyrimidin-2-yl)-7,7-dimethyl-1,4-thiazepane
CID 107269428
3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 103356934

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106321701) is 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(c2ncc(Br)cn2)C1.
What is the InChIKey of 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is AVANEVTVMMAAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-11(7-13-2)3-4-16(8-11)10-14-5-9(12)6-15-10/h5-6,13H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 285.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106321701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).