5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine

C9H10BrN5 — CID 103570563

IUPAC5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCn1cc(-c2ncc(Br)c(N)n2)cn1
InChIInChI=1S/C9H10BrN5/c1-2-15-5-6(3-13-15)9-12-4-7(10)8(11)14-9/h3-5H,2H2,1H3,(H2,11,12,14)
InChIKeyZEZJNUFQDQEBGR-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.70
Rot. Bonds2

About 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine

5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 103570563) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID103570563
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCn1cc(-c2ncc(Br)c(N)n2)cn1
InChIInChI=1S/C9H10BrN5/c1-2-15-5-6(3-13-15)9-12-4-7(10)8(11)14-9/h3-5H,2H2,1H3,(H2,11,12,14)
InChIKeyZEZJNUFQDQEBGR-UHFFFAOYSA-N
XLogP1.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573052
2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570532
2-(1-ethylpyrazol-4-yl)-7H-purine
CID 150929299
5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
2-(1-ethylpyrazol-4-yl)-N-methylpyrimidin-4-amine
CID 103570484
5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 66296050
2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 103570351
4-(1-ethylpyrazol-4-yl)-1,3-thiazol-5-amine
CID 103570447
5-(1-ethylpyrazol-4-yl)-1-methylimidazol-2-amine
CID 131019738
2-(1-ethylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 103570486
5-bromo-2-pyridin-3-ylpyrimidin-4-amine
CID 66302850
6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 106878454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine (CID 103570563) is 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine is CCn1cc(-c2ncc(Br)c(N)n2)cn1.
What is the InChIKey of 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is ZEZJNUFQDQEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c1-2-15-5-6(3-13-15)9-12-4-7(10)8(11)14-9/h3-5H,2H2,1H3,(H2,11,12,14).
What are the key properties of 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine?
5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 268.12 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 103570563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).