5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine

C14H20BrN5 — CID 83094484

IUPAC5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cn(C)nc2C(C)(C)C)nc(C)c1Br
InChIInChI=1S/C14H20BrN5/c1-8-10(15)13(16-5)18-12(17-8)9-7-20(6)19-11(9)14(2,3)4/h7H,1-6H3,(H,16,17,18)
InChIKeyYGFNUSAIUDWOKP-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.29
Rot. Bonds2

About 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine

5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 83094484) has the molecular formula C14H20BrN5 and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID83094484
Molecular FormulaC14H20BrN5
Molecular Weight338.25 g/mol
Exact Mass337.09
IUPAC Name5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cn(C)nc2C(C)(C)C)nc(C)c1Br
InChIInChI=1S/C14H20BrN5/c1-8-10(15)13(16-5)18-12(17-8)9-7-20(6)19-11(9)14(2,3)4/h7H,1-6H3,(H,16,17,18)
InChIKeyYGFNUSAIUDWOKP-UHFFFAOYSA-N
XLogP3.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 83084574
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 83085350
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-4,6-dichloropyrimidine
CID 83091448
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 83093937
2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine
CID 83090085
5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66305215
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 112671008
5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66302387
5-bromo-6-tert-butyl-2-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 81274493
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 83091370
5-bromo-2-(4-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 66306418
5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66304873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine (CID 83094484) is 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2cn(C)nc2C(C)(C)C)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is YGFNUSAIUDWOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5/c1-8-10(15)13(16-5)18-12(17-8)9-7-20(6)19-11(9)14(2,3)4/h7H,1-6H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 338.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 83094484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).