ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

C20H22N4O2S — CID 91965227

IUPACethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccccc3)nc3sc(C)cc23)CC1
InChIInChI=1S/C20H22N4O2S/c1-3-26-20(25)24-11-9-23(10-12-24)18-16-13-14(2)27-19(16)22-17(21-18)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3
InChIKeyQBLHSJBUOKPTBU-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.95
Rot. Bonds3

About ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 91965227) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID91965227
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Nameethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccccc3)nc3sc(C)cc23)CC1
InChIInChI=1S/C20H22N4O2S/c1-3-26-20(25)24-11-9-23(10-12-24)18-16-13-14(2)27-19(16)22-17(21-18)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3
InChIKeyQBLHSJBUOKPTBU-UHFFFAOYSA-N
XLogP3.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965219
ethyl 4-[2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 3330168
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965221
phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062807
2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
CID 91965567
2-(2-chlorophenyl)-4-(4-ethoxycarbonylpiperazin-1-yl)quinazoline-7-carboxylic acid
CID 25130746
2-(4-chlorophenoxy)-1-[4-[6-(4-fluorophenyl)-2-phenylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;ethyl 4-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidine-2-carboxylate
CID 87282557
ethyl 4-[6-(butan-2-ylamino)-2-phenylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112879888
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
ethyl 4-(7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 46797966

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (CID 91965227) is ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(-c3ccccc3)nc3sc(C)cc23)CC1.
What is the InChIKey of ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is QBLHSJBUOKPTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-26-20(25)24-11-9-23(10-12-24)18-16-13-14(2)27-19(16)22-17(21-18)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 382.49 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 91965227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).