5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine

C13H18BrN5 — CID 66304442

IUPAC5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cncn2C(C)C)nc(C)c1Br
InChIInChI=1S/C13H18BrN5/c1-5-16-13-11(14)9(4)17-12(18-13)10-6-15-7-19(10)8(2)3/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyXTZOIKBIBOMQRE-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.42
Rot. Bonds4

About 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine

5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine (PubChem CID 66304442) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
PubChem CID66304442
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cncn2C(C)C)nc(C)c1Br
InChIInChI=1S/C13H18BrN5/c1-5-16-13-11(14)9(4)17-12(18-13)10-6-15-7-19(10)8(2)3/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyXTZOIKBIBOMQRE-UHFFFAOYSA-N
XLogP3.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
CID 66296617
5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305081
N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine
CID 112559312
5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine
CID 66306676
5-bromo-2-(3-cyclopropylimidazol-4-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66295755
5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 66296296
5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66306280
4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
CID 66130304
4-chloro-2-(3-propan-2-ylimidazol-4-yl)-6-propylpyrimidine
CID 66131897
5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66297457
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296529

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine (CID 66304442) is 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine is CCNc1nc(-c2cncn2C(C)C)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
The InChIKey is XTZOIKBIBOMQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-5-16-13-11(14)9(4)17-12(18-13)10-6-15-7-19(10)8(2)3/h6-8H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine has a molecular weight of 324.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66304442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).