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

C22H23N3O3 — CID 53317912

IUPAC1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone
SMILESCOc1ccc(CCNc2cc(-c3ccc(C(C)=O)cc3)nc(OC)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(26)17-6-8-18(9-7-17)20-14-21(25-22(24-20)28-3)23-13-12-16-4-10-19(27-2)11-5-16/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)
InChIKeyKVUBQMZZSUGHGH-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.02
Rot. Bonds8

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

1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone (PubChem CID 53317912) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone
PubChem CID53317912
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone
SMILESCOc1ccc(CCNc2cc(-c3ccc(C(C)=O)cc3)nc(OC)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(26)17-6-8-18(9-7-17)20-14-21(25-22(24-20)28-3)23-13-12-16-4-10-19(27-2)11-5-16/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)
InChIKeyKVUBQMZZSUGHGH-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-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone with MolForge

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Related Compounds

Gnf-2
CID 5311510
4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]prop-2-Ynyl]-4-Methoxy-Phenyl]benzoic Acid
CID 121493974
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
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
1-(4-{[(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)amino]methyl}phenyl)ethan-1-one
CID 11712151
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
(2E)-1-(4-methoxyphenyl)-3-[(4-methylpyridin-2-yl)amino]prop-2-en-1-one
CID 1927485
2-(Azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 664371
4-[(2,6-Diphenyl-4-pyrimidinyl)oxy]benzaldehyde
CID 1082031
(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone (CID 53317912) is 1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone is COc1ccc(CCNc2cc(-c3ccc(C(C)=O)cc3)nc(OC)n2)cc1.
What is the InChIKey of 1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone?
The InChIKey is KVUBQMZZSUGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(26)17-6-8-18(9-7-17)20-14-21(25-22(24-20)28-3)23-13-12-16-4-10-19(27-2)11-5-16/h4-11,14H,12-13H2,1-3H3,(H,23,24,25).
What are the key properties of 1-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone?
1-[4-[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-[4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone is sourced from PubChem (CID 53317912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).