ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate

C19H19N3O2S — CID 59517804

IUPACethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)nc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C19H19N3O2S/c1-4-24-19(23)15-16(14-11-8-12-25-14)20-17(21-18(15)22(2)3)13-9-6-5-7-10-13/h5-12H,4H2,1-3H3
InChIKeyUKDYTELRUINNLG-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.11
Rot. Bonds5

About ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate

ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate (PubChem CID 59517804) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate
PubChem CID59517804
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Nameethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)nc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C19H19N3O2S/c1-4-24-19(23)15-16(14-11-8-12-25-14)20-17(21-18(15)22(2)3)13-9-6-5-7-10-13/h5-12H,4H2,1-3H3
InChIKeyUKDYTELRUINNLG-UHFFFAOYSA-N
XLogP4.11
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate (CID 59517804) is ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1c(-c2cccs2)nc(-c2ccccc2)nc1N(C)C.
What is the InChIKey of ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate?
The InChIKey is UKDYTELRUINNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-4-24-19(23)15-16(14-11-8-12-25-14)20-17(21-18(15)22(2)3)13-9-6-5-7-10-13/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate?
ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate has a molecular weight of 353.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylamino)-2-phenyl-6-thiophen-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 59517804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).