5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C11H17BrN4 — CID 66298260

IUPAC5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCc1nc(N2CCCC2)nc(NC)c1Br
InChIInChI=1S/C11H17BrN4/c1-3-8-9(12)10(13-2)15-11(14-8)16-6-4-5-7-16/h3-7H2,1-2H3,(H,13,14,15)
InChIKeyJSQZRZKKBSRJCU-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.44
Rot. Bonds3

About 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine

5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 66298260) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID66298260
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCc1nc(N2CCCC2)nc(NC)c1Br
InChIInChI=1S/C11H17BrN4/c1-3-8-9(12)10(13-2)15-11(14-8)16-6-4-5-7-16/h3-7H2,1-2H3,(H,13,14,15)
InChIKeyJSQZRZKKBSRJCU-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
CID 66307142
2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299085
5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66298476
5-ethyl-N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190547
(6-ethyl-5-methyl-2-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 63561219
2-(4,6-diethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylethanamine
CID 79219149
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine
CID 79219782
5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729550
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
2-(azepan-1-yl)-5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298547
5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 66298260) is 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine is CCc1nc(N2CCCC2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is JSQZRZKKBSRJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-3-8-9(12)10(13-2)15-11(14-8)16-6-4-5-7-16/h3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 285.19 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 66298260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).