5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine

C12H20BrN5 — CID 115415783

IUPAC5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(CC2CN(C)CCN2C)ncc1Br
InChIInChI=1S/C12H20BrN5/c1-14-12-10(13)7-15-11(16-12)6-9-8-17(2)4-5-18(9)3/h7,9H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyFIFXVFOKMYWDSQ-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.07
Rot. Bonds3

About 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine

5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 115415783) has the molecular formula C12H20BrN5 and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine
PubChem CID115415783
Molecular FormulaC12H20BrN5
Molecular Weight314.23 g/mol
Exact Mass313.09
IUPAC Name5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(CC2CN(C)CCN2C)ncc1Br
InChIInChI=1S/C12H20BrN5/c1-14-12-10(13)7-15-11(16-12)6-9-8-17(2)4-5-18(9)3/h7,9H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyFIFXVFOKMYWDSQ-UHFFFAOYSA-N
XLogP1.07
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 115415698
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine
CID 115415733
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 113305589
[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
CID 113305597
3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 113413702
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 115415736
3-bromo-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 114835915
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115415718
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 113305593
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 115415806
5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine
CID 115414517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine (CID 115415783) is 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine is CNc1nc(CC2CN(C)CCN2C)ncc1Br.
What is the InChIKey of 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is FIFXVFOKMYWDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5/c1-14-12-10(13)7-15-11(16-12)6-9-8-17(2)4-5-18(9)3/h7,9H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine?
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115415783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).