4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline

C16H16N4O — CID 68516140

IUPAC4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline
SMILESCOc1ccc(NCc2nc(C)nc3ncccc23)cc1
InChIInChI=1S/C16H16N4O/c1-11-19-15(14-4-3-9-17-16(14)20-11)10-18-12-5-7-13(21-2)8-6-12/h3-9,18H,10H2,1-2H3
InChIKeyNYRYQYIZSOZPPI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.95
Rot. Bonds4

About 4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline

4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline (PubChem CID 68516140) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline
PubChem CID68516140
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline
SMILESCOc1ccc(NCc2nc(C)nc3ncccc23)cc1
InChIInChI=1S/C16H16N4O/c1-11-19-15(14-4-3-9-17-16(14)20-11)10-18-12-5-7-13(21-2)8-6-12/h3-9,18H,10H2,1-2H3
InChIKeyNYRYQYIZSOZPPI-UHFFFAOYSA-N
XLogP2.95
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline (CID 68516140) is 4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline is COc1ccc(NCc2nc(C)nc3ncccc23)cc1.
What is the InChIKey of 4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline?
The InChIKey is NYRYQYIZSOZPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-19-15(14-4-3-9-17-16(14)20-11)10-18-12-5-7-13(21-2)8-6-12/h3-9,18H,10H2,1-2H3.
What are the key properties of 4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline?
4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline has a molecular weight of 280.33 g/mol, XLogP of 2.95, 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-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline is sourced from PubChem (CID 68516140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).