(6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one

C22H20N4O — CID 71456492

IUPAC(6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C22H20N4O/c1-26-20(27)14-22(25-21(26)23,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-24-15-17/h2-13,15H,14H2,1H3,(H2,23,25)/t22-/m1/s1
InChIKeyAVQWTIHWFVYYEK-JOCHJYFZSA-N
MW356.43 g/mol
LogP3.17
Rot. Bonds3

About (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one

(6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one (PubChem CID 71456492) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
PubChem CID71456492
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name(6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C22H20N4O/c1-26-20(27)14-22(25-21(26)23,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-24-15-17/h2-13,15H,14H2,1H3,(H2,23,25)/t22-/m1/s1
InChIKeyAVQWTIHWFVYYEK-JOCHJYFZSA-N
XLogP3.17
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one?
The IUPAC name of (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one (CID 71456492) is (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one.
What is the SMILES notation for (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one?
The canonical SMILES for (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one is CN1C(=O)C[C@@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N.
What is the InChIKey of (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one?
The InChIKey is AVQWTIHWFVYYEK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20N4O/c1-26-20(27)14-22(25-21(26)23,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-24-15-17/h2-13,15H,14H2,1H3,(H2,23,25)/t22-/m1/s1.
What are the key properties of (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one?
(6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-3-methyl-6-phenyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one is sourced from PubChem (CID 71456492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).