1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone

C22H23N3O3 — CID 53321839

IUPAC1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone
SMILESCOc1ccc(CCNc2cc(-c3cccc(C(C)=O)c3)nc(OC)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(26)17-5-4-6-18(13-17)20-14-21(25-22(24-20)28-3)23-12-11-16-7-9-19(27-2)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,23,24,25)
InChIKeyMIDXFMMNLJOEGD-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.02
Rot. Bonds8

About 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone

1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone (PubChem CID 53321839) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone
PubChem CID53321839
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone
SMILESCOc1ccc(CCNc2cc(-c3cccc(C(C)=O)c3)nc(OC)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(26)17-5-4-6-18(13-17)20-14-21(25-22(24-20)28-3)23-12-11-16-7-9-19(27-2)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,23,24,25)
InChIKeyMIDXFMMNLJOEGD-UHFFFAOYSA-N
XLogP4.02
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone with MolForge

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Related Compounds

Gnf-2
CID 5311510
N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide
CID 44129660
(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
2-Fluoro-5-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzoic acid
CID 11696919
[2-(4-methoxy-phenyl)-ethyl]-{2-methoxy-6-[3-(1H-tetrazol-5-yl)-phenyl]-pyrimidin-4-yl}-amine
CID 53319216
N-(2,6-dimethylphenyl)-4-[[4-propyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724859
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
(E)-3-anilino-1-[4-(2-pyrimidinyloxy)phenyl]-2-propen-1-one
CID 5525005
4-Methoxy-N-(6-phenyl-pyrimidin-4-yl)-benzamide
CID 10709706
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
CID 11495368
1-Ethyl-3-(3-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl]-phenyl)-urea
CID 11495480

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone (CID 53321839) is 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone is COc1ccc(CCNc2cc(-c3cccc(C(C)=O)c3)nc(OC)n2)cc1.
What is the InChIKey of 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone?
The InChIKey is MIDXFMMNLJOEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(26)17-5-4-6-18(13-17)20-14-21(25-22(24-20)28-3)23-12-11-16-7-9-19(27-2)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,23,24,25).
What are the key properties of 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone?
1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone has a molecular weight of 377.44 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone is sourced from PubChem (CID 53321839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).