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

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Related Compounds

CID 5311510
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CID 807557
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CID 11660493
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CID 11696919
CID 11696919
CID 11712151
CID 11712151
CID 75815438
CID 75815438
CID 1927485
CID 1927485
CID 664371
CID 664371
CID 1082031
CID 1082031
CID 5525005
CID 5525005
CID 10709706
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).