5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine

C10H16BrN3 — CID 66341943

IUPAC5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
SMILESCC(C)C(C)CNc1ncncc1Br
InChIInChI=1S/C10H16BrN3/c1-7(2)8(3)4-13-10-9(11)5-12-6-14-10/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyOPAKTJCDTVTHCI-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.94
Rot. Bonds4

About 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine

5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine (PubChem CID 66341943) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
PubChem CID66341943
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
SMILESCC(C)C(C)CNc1ncncc1Br
InChIInChI=1S/C10H16BrN3/c1-7(2)8(3)4-13-10-9(11)5-12-6-14-10/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyOPAKTJCDTVTHCI-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764259
3-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64599178
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 66340331
5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816515
2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115714881
3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 115715016
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine
CID 103779960
5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
CID 103766959
3-N-(5-bromopyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357805
5-bromo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106329876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine (CID 66341943) is 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine is CC(C)C(C)CNc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine?
The InChIKey is OPAKTJCDTVTHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-7(2)8(3)4-13-10-9(11)5-12-6-14-10/h5-8H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine?
5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine has a molecular weight of 258.16 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 66341943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).