6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine

C15H16BrN5 — CID 86946152

IUPAC6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine
SMILESCC(C)(C)n1cc(Nc2ncnc3ccc(Br)cc23)cn1
InChIInChI=1S/C15H16BrN5/c1-15(2,3)21-8-11(7-19-21)20-14-12-6-10(16)4-5-13(12)17-9-18-14/h4-9H,1-3H3,(H,17,18,20)
InChIKeyYHGULJZFZYECBT-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.09
Rot. Bonds2

About 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine

6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine (PubChem CID 86946152) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine
PubChem CID86946152
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine
SMILESCC(C)(C)n1cc(Nc2ncnc3ccc(Br)cc23)cn1
InChIInChI=1S/C15H16BrN5/c1-15(2,3)21-8-11(7-19-21)20-14-12-6-10(16)4-5-13(12)17-9-18-14/h4-9H,1-3H3,(H,17,18,20)
InChIKeyYHGULJZFZYECBT-UHFFFAOYSA-N
XLogP4.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine
CID 133446921
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide
CID 121416216
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
CID 53482314
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327454
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
CID 133342144
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide
CID 133427903

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine (CID 86946152) is 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine is CC(C)(C)n1cc(Nc2ncnc3ccc(Br)cc23)cn1.
What is the InChIKey of 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine?
The InChIKey is YHGULJZFZYECBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-15(2,3)21-8-11(7-19-21)20-14-12-6-10(16)4-5-13(12)17-9-18-14/h4-9H,1-3H3,(H,17,18,20).
What are the key properties of 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine?
6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine has a molecular weight of 346.23 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 86946152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).