4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine

C11H14BrN5 — CID 118314620

IUPAC4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine
SMILESCC(C)(C)n1cc(Br)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C11H14BrN5/c1-11(2,3)17-6-7(12)9(16-17)8-4-5-14-10(13)15-8/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyRTDZEHFGAPCSRN-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.44
Rot. Bonds1

About 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine

4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 118314620) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID118314620
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine
SMILESCC(C)(C)n1cc(Br)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C11H14BrN5/c1-11(2,3)17-6-7(12)9(16-17)8-4-5-14-10(13)15-8/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyRTDZEHFGAPCSRN-UHFFFAOYSA-N
XLogP2.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(2-aminopyrimidin-4-yl)-1-tert-butylpyrazol-4-yl]-4-fluorophenyl]-3-(4-fluorophenyl)urea
CID 118319509
1-[3-[3-(2-aminopyrimidin-4-yl)-1-tert-butylpyrazol-4-yl]-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 118319510
1-[3-[3-(2-aminopyrimidin-4-yl)-1-tert-butylpyrazol-4-yl]phenyl]-3-(4-methylsulfonylphenyl)urea
CID 118319497
1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine
CID 83222452
4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine
CID 16750668
4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine
CID 170898403
ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 143753819
4-(1-ethyltriazol-4-yl)pyrimidin-2-amine
CID 137487091
4-(1-bromopyrrol-2-yl)pyrimidin-2-amine
CID 151683355
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
CID 67073877
4-(5-bromo-3-pyridinyl)pyrimidin-2-amine
CID 53426314
3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 66678798

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine (CID 118314620) is 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine is CC(C)(C)n1cc(Br)c(-c2ccnc(N)n2)n1.
What is the InChIKey of 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is RTDZEHFGAPCSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-11(2,3)17-6-7(12)9(16-17)8-4-5-14-10(13)15-8/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine?
4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 296.17 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 118314620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).