4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine

C17H16N4O — CID 133332712

IUPAC4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-22-16-8-10-19-17(21-16)20-11-13-4-6-14(7-5-13)15-3-2-9-18-12-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyAALMLJFMISYOJM-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.16
Rot. Bonds5

About 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine

4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine (PubChem CID 133332712) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine
PubChem CID133332712
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-22-16-8-10-19-17(21-16)20-11-13-4-6-14(7-5-13)15-3-2-9-18-12-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyAALMLJFMISYOJM-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine (CID 133332712) is 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine is COc1ccnc(NCc2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is AALMLJFMISYOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-16-8-10-19-17(21-16)20-11-13-4-6-14(7-5-13)15-3-2-9-18-12-15/h2-10,12H,11H2,1H3,(H,19,20,21).
What are the key properties of 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine?
4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 292.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 133332712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).