5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

C12H20BrN5 — CID 114072228

IUPAC5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCCC2CN(C)C)c1Br
InChIInChI=1S/C12H20BrN5/c1-14-11-10(13)12(16-8-15-11)18-6-4-5-9(18)7-17(2)3/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyKROMBEIOAORGAK-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.81
Rot. Bonds4

About 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 114072228) has the molecular formula C12H20BrN5 and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID114072228
Molecular FormulaC12H20BrN5
Molecular Weight314.23 g/mol
Exact Mass313.09
IUPAC Name5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCCC2CN(C)C)c1Br
InChIInChI=1S/C12H20BrN5/c1-14-11-10(13)12(16-8-15-11)18-6-4-5-9(18)7-17(2)3/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyKROMBEIOAORGAK-UHFFFAOYSA-N
XLogP1.81
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (CID 114072228) is 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is CNc1ncnc(N2CCCC2CN(C)C)c1Br.
What is the InChIKey of 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is KROMBEIOAORGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5/c1-14-11-10(13)12(16-8-15-11)18-6-4-5-9(18)7-17(2)3/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114072228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).