N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

C17H16N4O — CID 51042017

IUPACN-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccccc1
InChIInChI=1S/C17H16N4O/c1-22-15-12-20-16(14-9-5-6-10-18-14)21-17(15)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyODCDWGADKFHUDV-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.16
Rot. Bonds5

About N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 51042017) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID51042017
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccccc1
InChIInChI=1S/C17H16N4O/c1-22-15-12-20-16(14-9-5-6-10-18-14)21-17(15)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyODCDWGADKFHUDV-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 N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (CID 51042017) is N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is ODCDWGADKFHUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-15-12-20-16(14-9-5-6-10-18-14)21-17(15)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20,21).
What are the key properties of N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-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 N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 51042017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).