2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

C15H15FN4 — CID 62403159

IUPAC2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCc1ccc(NCc2cnc3cc(C)nn3c2)c(F)c1
InChIInChI=1S/C15H15FN4/c1-10-3-4-14(13(16)5-10)17-7-12-8-18-15-6-11(2)19-20(15)9-12/h3-6,8-9,17H,7H2,1-2H3
InChIKeyUTYVXDNIZMLGIC-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.10
Rot. Bonds3

About 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (PubChem CID 62403159) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
PubChem CID62403159
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCc1ccc(NCc2cnc3cc(C)nn3c2)c(F)c1
InChIInChI=1S/C15H15FN4/c1-10-3-4-14(13(16)5-10)17-7-12-8-18-15-6-11(2)19-20(15)9-12/h3-6,8-9,17H,7H2,1-2H3
InChIKeyUTYVXDNIZMLGIC-UHFFFAOYSA-N
XLogP3.10
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The IUPAC name of 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (CID 62403159) is 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is Cc1ccc(NCc2cnc3cc(C)nn3c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The InChIKey is UTYVXDNIZMLGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-10-3-4-14(13(16)5-10)17-7-12-8-18-15-6-11(2)19-20(15)9-12/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline has a molecular weight of 270.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is sourced from PubChem (CID 62403159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).