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

C15H16N4O — CID 62403164

IUPAC4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCOc1ccc(NCc2cnc3cc(C)nn3c2)cc1
InChIInChI=1S/C15H16N4O/c1-11-7-15-17-9-12(10-19(15)18-11)8-16-13-3-5-14(20-2)6-4-13/h3-7,9-10,16H,8H2,1-2H3
InChIKeyIEXXLFUHBASFGB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds4

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

4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (PubChem CID 62403164) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
PubChem CID62403164
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCOc1ccc(NCc2cnc3cc(C)nn3c2)cc1
InChIInChI=1S/C15H16N4O/c1-11-7-15-17-9-12(10-19(15)18-11)8-16-13-3-5-14(20-2)6-4-13/h3-7,9-10,16H,8H2,1-2H3
InChIKeyIEXXLFUHBASFGB-UHFFFAOYSA-N
XLogP2.66
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 82860198
4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide
CID 62402815
2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403520
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
[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
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
1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
CID 65047758
5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 63782333
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866
N-[(2-chloropyrimidin-5-yl)methyl]-4-methoxyaniline
CID 167053365

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (CID 62403164) is 4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is COc1ccc(NCc2cnc3cc(C)nn3c2)cc1.
What is the InChIKey of 4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The InChIKey is IEXXLFUHBASFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-7-15-17-9-12(10-19(15)18-11)8-16-13-3-5-14(20-2)6-4-13/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of 4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline has a molecular weight of 268.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is sourced from PubChem (CID 62403164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).