6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine

C15H16BrN5 — CID 110431581

IUPAC6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1nn(C)c(C)c1CNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C15H16BrN5/c1-9-13(10(2)21(3)20-9)7-17-15-12-6-11(16)4-5-14(12)18-8-19-15/h4-6,8H,7H2,1-3H3,(H,17,18,19)
InChIKeyYRDBXLLETXEBEY-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.35
Rot. Bonds3

About 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine

6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine (PubChem CID 110431581) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine
PubChem CID110431581
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1nn(C)c(C)c1CNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C15H16BrN5/c1-9-13(10(2)21(3)20-9)7-17-15-12-6-11(16)4-5-14(12)18-8-19-15/h4-6,8H,7H2,1-3H3,(H,17,18,19)
InChIKeyYRDBXLLETXEBEY-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848886
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327454
4-bromo-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 114901997
5-bromo-2-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 107286391
4-bromo-2,6-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 54863746
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
6-bromo-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133324802
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367412
N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine
CID 69015210
6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
CID 133342144
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848172

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine (CID 110431581) is 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine is Cc1nn(C)c(C)c1CNc1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine?
The InChIKey is YRDBXLLETXEBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-9-13(10(2)21(3)20-9)7-17-15-12-6-11(16)4-5-14(12)18-8-19-15/h4-6,8H,7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine?
6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine has a molecular weight of 346.23 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 110431581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).