5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine

C9H14BrN3 — CID 66304687

IUPAC5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(C)c1Br
InChIInChI=1S/C9H14BrN3/c1-4-5-11-9-8(10)6(2)12-7(3)13-9/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyYMZBUENUIKWOLK-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine

5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 66304687) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
PubChem CID66304687
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(C)c1Br
InChIInChI=1S/C9H14BrN3/c1-4-5-11-9-8(10)6(2)12-7(3)13-9/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyYMZBUENUIKWOLK-UHFFFAOYSA-N
XLogP2.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine
CID 130729645
5-bromo-2-[(2-fluorophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66307477
5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 113391676
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325
5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine
CID 130663098
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66295533
5-bromo-6-methyl-2-(6-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 66305685
5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 81311702
5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
CID 66305031

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine (CID 66304687) is 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(C)c1Br.
What is the InChIKey of 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is YMZBUENUIKWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-4-5-11-9-8(10)6(2)12-7(3)13-9/h4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine?
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 244.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66304687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).