5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine

C17H16N4O — CID 1470719

IUPAC5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1N(C)c1ccccc1
InChIInChI=1S/C17H16N4O/c1-21(13-8-4-3-5-9-13)17-15(22-2)12-19-16(20-17)14-10-6-7-11-18-14/h3-12H,1-2H3
InChIKeyFLLGZHLDRRHIKJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.32
Rot. Bonds4

About 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine

5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 1470719) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID1470719
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1N(C)c1ccccc1
InChIInChI=1S/C17H16N4O/c1-21(13-8-4-3-5-9-13)17-15(22-2)12-19-16(20-17)14-10-6-7-11-18-14/h3-12H,1-2H3
InChIKeyFLLGZHLDRRHIKJ-UHFFFAOYSA-N
XLogP3.32
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine (CID 1470719) is 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1N(C)c1ccccc1.
What is the InChIKey of 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is FLLGZHLDRRHIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21(13-8-4-3-5-9-13)17-15(22-2)12-19-16(20-17)14-10-6-7-11-18-14/h3-12H,1-2H3.
What are the key properties of 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 292.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 1470719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).