6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine

C11H14BrN5 — CID 80853452

IUPAC6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(-n2cc(Br)cn2)c1C
InChIInChI=1S/C11H14BrN5/c1-4-13-10-7(2)11(16-8(3)15-10)17-6-9(12)5-14-17/h5-6H,4H2,1-3H3,(H,13,15,16)
InChIKeyRBQBMGQDKTVXCY-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.47
Rot. Bonds3

About 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine

6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80853452) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80853452
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(-n2cc(Br)cn2)c1C
InChIInChI=1S/C11H14BrN5/c1-4-13-10-7(2)11(16-8(3)15-10)17-6-9(12)5-14-17/h5-6H,4H2,1-3H3,(H,13,15,16)
InChIKeyRBQBMGQDKTVXCY-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80853957
4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80853632
1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80766566
6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80988536
1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide
CID 80988659
N-ethyl-2,5-dimethyl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-amine
CID 114597881
N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80833885
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
CID 80764591
2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80857923
5-methyl-6-(4-methylpyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80992723
N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 80840306
2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 62195584

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine (CID 80853452) is 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine is CCNc1nc(C)nc(-n2cc(Br)cn2)c1C.
What is the InChIKey of 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is RBQBMGQDKTVXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-4-13-10-7(2)11(16-8(3)15-10)17-6-9(12)5-14-17/h5-6H,4H2,1-3H3,(H,13,15,16).
What are the key properties of 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 296.17 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80853452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).