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

C14H12BrFN4 — CID 63782333

IUPAC5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCc1cc2ncc(CNc3cc(Br)ccc3F)cn2n1
InChIInChI=1S/C14H12BrFN4/c1-9-4-14-18-7-10(8-20(14)19-9)6-17-13-5-11(15)2-3-12(13)16/h2-5,7-8,17H,6H2,1H3
InChIKeyGPOCLCPUBAHARC-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.55
Rot. Bonds3

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

5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (PubChem CID 63782333) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
PubChem CID63782333
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC Name5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCc1cc2ncc(CNc3cc(Br)ccc3F)cn2n1
InChIInChI=1S/C14H12BrFN4/c1-9-4-14-18-7-10(8-20(14)19-9)6-17-13-5-11(15)2-3-12(13)16/h2-5,7-8,17H,6H2,1H3
InChIKeyGPOCLCPUBAHARC-UHFFFAOYSA-N
XLogP3.55
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 63783538
2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403159
2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403520
[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]phenyl]methanol
CID 63783870
3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62404576
3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 82860198
4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403164
1-(4-bromothiophen-2-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]methanamine
CID 62404239
5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934149
2,3-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-2-ol
CID 103993421
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (CID 63782333) is 5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is Cc1cc2ncc(CNc3cc(Br)ccc3F)cn2n1.
What is the InChIKey of 5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The InChIKey is GPOCLCPUBAHARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c1-9-4-14-18-7-10(8-20(14)19-9)6-17-13-5-11(15)2-3-12(13)16/h2-5,7-8,17H,6H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline has a molecular weight of 335.18 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is sourced from PubChem (CID 63782333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).