1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone

C20H21N3O3S — CID 53320268

IUPAC1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone
SMILESCOc1ccc(CCNc2cc(-c3ccc(C(C)=O)s3)nc(OC)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-13(24)17-8-9-18(27-17)16-12-19(23-20(22-16)26-3)21-11-10-14-4-6-15(25-2)7-5-14/h4-9,12H,10-11H2,1-3H3,(H,21,22,23)
InChIKeyLRLGNTCDJDTTQE-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.08
Rot. Bonds8

About 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone

1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone (PubChem CID 53320268) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone
PubChem CID53320268
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone
SMILESCOc1ccc(CCNc2cc(-c3ccc(C(C)=O)s3)nc(OC)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-13(24)17-8-9-18(27-17)16-12-19(23-20(22-16)26-3)21-11-10-14-4-6-15(25-2)7-5-14/h4-9,12H,10-11H2,1-3H3,(H,21,22,23)
InChIKeyLRLGNTCDJDTTQE-UHFFFAOYSA-N
XLogP4.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

4-methoxy-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16660470
6-[5-(difluoromethyl)thiophen-2-yl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11567324
[2-Methoxy-6-(5-oxazol-5-yl-thiophen-2-yl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11690028
[2-(4-Methoxy-phenyl)-ethyl]-[2-methoxy-6-(5-pyrrolidin-1-ylmethyl-thiophen-2-yl)-pyrimidin-4-yl]-amine
CID 11718798
1-[4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenyl]ethanone
CID 53317912
4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]benzamide
CID 53318738
1-[3-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenyl]ethanone
CID 53321839
(6-Benzo[b]thiophen-2-yl-2-methoxy-pyrimidin-4-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53323184
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 53324508
4-(5-Allyl-2-(5-methoxythiophen-2-yl)-6-methylpyrimidin-4-ylamino)benzoic acid
CID 54583104
2-(4-(5-Allyl-2-(5-methoxythiophen-2-yl)-6-methylpyrimidin-4-ylamino)phenyl)acetic acid
CID 54585044
2-[4-(4-Methoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-N-thiophen-2-ylmethyl-acetamide
CID 993318

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone (CID 53320268) is 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone is COc1ccc(CCNc2cc(-c3ccc(C(C)=O)s3)nc(OC)n2)cc1.
What is the InChIKey of 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone?
The InChIKey is LRLGNTCDJDTTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13(24)17-8-9-18(27-17)16-12-19(23-20(22-16)26-3)21-11-10-14-4-6-15(25-2)7-5-14/h4-9,12H,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone?
1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone has a molecular weight of 383.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 53320268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).