4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

C22H27N5O2S — CID 42799982

IUPAC4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCc1nc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C22H27N5O2S/c1-5-18-24-20(19-14(2)15(3)30-21(19)25-18)26-9-11-27(12-10-26)22(28)23-16-7-6-8-17(13-16)29-4/h6-8,13H,5,9-12H2,1-4H3,(H,23,28)
InChIKeyZHISXURXQSGFPJ-UHFFFAOYSA-N
MW425.56 g/mol
LogP4.23
Rot. Bonds4

About 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 42799982) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID42799982
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCc1nc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C22H27N5O2S/c1-5-18-24-20(19-14(2)15(3)30-21(19)25-18)26-9-11-27(12-10-26)22(28)23-16-7-6-8-17(13-16)29-4/h6-8,13H,5,9-12H2,1-4H3,(H,23,28)
InChIKeyZHISXURXQSGFPJ-UHFFFAOYSA-N
XLogP4.23
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799978
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42799949
4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 83282802
N-tert-butyl-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799970
N-(3-bromophenyl)-4-(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799879
2-chloro-1-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 42799781
(3,4-dichlorophenyl)-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42799793
4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 42799934
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 4541596
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-chlorophenyl)piperazine-1-carbothioamide
CID 3212873

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 42799982) is 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is CCc1nc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c2c(C)c(C)sc2n1.
What is the InChIKey of 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is ZHISXURXQSGFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-5-18-24-20(19-14(2)15(3)30-21(19)25-18)26-9-11-27(12-10-26)22(28)23-16-7-6-8-17(13-16)29-4/h6-8,13H,5,9-12H2,1-4H3,(H,23,28).
What are the key properties of 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 42799982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).