5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine

C11H14BrN5 — CID 136528533

IUPAC5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCn1nc(C)c(Nc2ncc(Br)cn2)c1C
InChIInChI=1S/C11H14BrN5/c1-4-17-8(3)10(7(2)16-17)15-11-13-5-9(12)6-14-11/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyVYKGWEYSDJGRCF-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.82
Rot. Bonds3

About 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine

5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 136528533) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID136528533
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCn1nc(C)c(Nc2ncc(Br)cn2)c1C
InChIInChI=1S/C11H14BrN5/c1-4-17-8(3)10(7(2)16-17)15-11-13-5-9(12)6-14-11/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyVYKGWEYSDJGRCF-UHFFFAOYSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine (CID 136528533) is 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine is CCn1nc(C)c(Nc2ncc(Br)cn2)c1C.
What is the InChIKey of 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is VYKGWEYSDJGRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-4-17-8(3)10(7(2)16-17)15-11-13-5-9(12)6-14-11/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine?
5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 296.17 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 136528533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).