1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone

C22H18N4O2 — CID 22543595

IUPAC1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)c1
InChIInChI=1S/C22H18N4O2/c1-14(27)16-7-4-8-18(11-16)26-21-20(23)22(25-13-24-21)28-19-10-9-15-5-2-3-6-17(15)12-19/h2-13H,23H2,1H3,(H,24,25,26)
InChIKeyRWYJSOZHPHTVKN-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.95
Rot. Bonds5

About 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone

1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone (PubChem CID 22543595) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone
PubChem CID22543595
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)c1
InChIInChI=1S/C22H18N4O2/c1-14(27)16-7-4-8-18(11-16)26-21-20(23)22(25-13-24-21)28-19-10-9-15-5-2-3-6-17(15)12-19/h2-13H,23H2,1H3,(H,24,25,26)
InChIKeyRWYJSOZHPHTVKN-UHFFFAOYSA-N
XLogP4.95
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547551
4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543686
1-[3-[[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547545
4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543583
1-[3-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547424
methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate
CID 22543668
4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 22543654
1-[3-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547428
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543670
N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide
CID 22543710
dimethyl 5-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547756
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone (CID 22543595) is 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone is CC(=O)c1cccc(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)c1.
What is the InChIKey of 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone?
The InChIKey is RWYJSOZHPHTVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14(27)16-7-4-8-18(11-16)26-21-20(23)22(25-13-24-21)28-19-10-9-15-5-2-3-6-17(15)12-19/h2-13H,23H2,1H3,(H,24,25,26).
What are the key properties of 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone?
1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone has a molecular weight of 370.41 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 22543595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).