N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine

C22H18N4O — CID 71304559

IUPACN-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3ccc(Oc4ccccc4)nc3)ncn2)cc1
InChIInChI=1S/C22H18N4O/c1-3-7-17(8-4-1)14-23-21-13-20(25-16-26-21)18-11-12-22(24-15-18)27-19-9-5-2-6-10-19/h1-13,15-16H,14H2,(H,23,25,26)
InChIKeyYXTBOXPWMNSLCE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.94
Rot. Bonds6

About N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine

N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine (PubChem CID 71304559) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine
PubChem CID71304559
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3ccc(Oc4ccccc4)nc3)ncn2)cc1
InChIInChI=1S/C22H18N4O/c1-3-7-17(8-4-1)14-23-21-13-20(25-16-26-21)18-11-12-22(24-15-18)27-19-9-5-2-6-10-19/h1-13,15-16H,14H2,(H,23,25,26)
InChIKeyYXTBOXPWMNSLCE-UHFFFAOYSA-N
XLogP4.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine (CID 71304559) is N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine is c1ccc(CNc2cc(-c3ccc(Oc4ccccc4)nc3)ncn2)cc1.
What is the InChIKey of N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is YXTBOXPWMNSLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-3-7-17(8-4-1)14-23-21-13-20(25-16-26-21)18-11-12-22(24-15-18)27-19-9-5-2-6-10-19/h1-13,15-16H,14H2,(H,23,25,26).
What are the key properties of N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine?
N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 354.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 71304559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).