5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine

C12H19BrN4 — CID 83224305

IUPAC5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCCC1CCC(C)N1c1nc(NC)ncc1Br
InChIInChI=1S/C12H19BrN4/c1-4-9-6-5-8(2)17(9)11-10(13)7-15-12(14-3)16-11/h7-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyHLJGXRNPOIJHRB-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.05
Rot. Bonds3

About 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine

5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 83224305) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
PubChem CID83224305
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCCC1CCC(C)N1c1nc(NC)ncc1Br
InChIInChI=1S/C12H19BrN4/c1-4-9-6-5-8(2)17(9)11-10(13)7-15-12(14-3)16-11/h7-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyHLJGXRNPOIJHRB-UHFFFAOYSA-N
XLogP3.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 80847335
5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80796103
8-[5-bromo-2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846699
5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80764445
4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83224574
5-bromo-4-(3-cyclopropylpyrazol-1-yl)-N-methylpyrimidin-2-amine
CID 80867881
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 83224477
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 83224199
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80854580
6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 83220002
[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80896698
2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridin-3-amine
CID 83218074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine (CID 83224305) is 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine is CCC1CCC(C)N1c1nc(NC)ncc1Br.
What is the InChIKey of 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is HLJGXRNPOIJHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-4-9-6-5-8(2)17(9)11-10(13)7-15-12(14-3)16-11/h7-9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine?
5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 299.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 83224305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).