3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

C15H15BrN4O — CID 82860198

IUPAC3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCOc1cc(Br)cc(NCc2cnc3cc(C)nn3c2)c1
InChIInChI=1S/C15H15BrN4O/c1-10-3-15-18-8-11(9-20(15)19-10)7-17-13-4-12(16)5-14(6-13)21-2/h3-6,8-9,17H,7H2,1-2H3
InChIKeyWQMUBPPDJAXJBI-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.42
Rot. Bonds4

About 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (PubChem CID 82860198) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
PubChem CID82860198
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCOc1cc(Br)cc(NCc2cnc3cc(C)nn3c2)c1
InChIInChI=1S/C15H15BrN4O/c1-10-3-15-18-8-11(9-20(15)19-10)7-17-13-4-12(16)5-14(6-13)21-2/h3-6,8-9,17H,7H2,1-2H3
InChIKeyWQMUBPPDJAXJBI-UHFFFAOYSA-N
XLogP3.42
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403164
5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 63782333
3-bromo-5-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881005
1-(4-bromothiophen-2-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]methanamine
CID 62404239
2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403520
1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
CID 65047758
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866
2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine
CID 115600931
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 63784556
3-bromo-N-[(4-iodophenyl)methyl]-5-methoxyaniline
CID 82868129
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711445
2-ethoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyridin-3-amine
CID 63783015

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The IUPAC name of 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (CID 82860198) is 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.
What is the SMILES notation for 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The canonical SMILES for 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is COc1cc(Br)cc(NCc2cnc3cc(C)nn3c2)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The InChIKey is WQMUBPPDJAXJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-10-3-15-18-8-11(9-20(15)19-10)7-17-13-4-12(16)5-14(6-13)21-2/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline has a molecular weight of 347.22 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is sourced from PubChem (CID 82860198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).