phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone

C18H15N3O — CID 119051507

IUPACphenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1NCc1ncccn1
InChIInChI=1S/C18H15N3O/c22-18(14-7-2-1-3-8-14)15-9-4-5-10-16(15)21-13-17-19-11-6-12-20-17/h1-12,21H,13H2
InChIKeyVOVRTIMQEQETHE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.32
Rot. Bonds5

About phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone

phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone (PubChem CID 119051507) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone
PubChem CID119051507
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Namephenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1NCc1ncccn1
InChIInChI=1S/C18H15N3O/c22-18(14-7-2-1-3-8-14)15-9-4-5-10-16(15)21-13-17-19-11-6-12-20-17/h1-12,21H,13H2
InChIKeyVOVRTIMQEQETHE-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
[2-(but-2-enylamino)phenyl]-phenylmethanone
CID 163414634
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
2-bromo-N-(pyrimidin-2-ylmethyl)aniline
CID 62699905
2-(1,2,4-oxadiazol-3-ylmethylamino)benzoic acid
CID 106400670
2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone
CID 110825563
2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
CID 110825945
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
[2-ethoxy-3-(ethylamino)phenyl]-phenylmethanone
CID 67045669
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
1-benzoyl-2-(sulfinoamino)benzene
CID 23299444
2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231705

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone?
The IUPAC name of phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone (CID 119051507) is phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone.
What is the SMILES notation for phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone?
The canonical SMILES for phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone is O=C(c1ccccc1)c1ccccc1NCc1ncccn1.
What is the InChIKey of phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone?
The InChIKey is VOVRTIMQEQETHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18(14-7-2-1-3-8-14)15-9-4-5-10-16(15)21-13-17-19-11-6-12-20-17/h1-12,21H,13H2.
What are the key properties of phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone?
phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone has a molecular weight of 289.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 119051507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).