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

C24H29N5OS — CID 42799934

IUPAC4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3nc(C4CC4)nc4sc(C)c(C)c34)CC2)cc1
InChIInChI=1S/C24H29N5OS/c1-4-17-5-9-19(10-6-17)25-24(30)29-13-11-28(12-14-29)22-20-15(2)16(3)31-23(20)27-21(26-22)18-7-8-18/h5-6,9-10,18H,4,7-8,11-14H2,1-3H3,(H,25,30)
InChIKeyPTUMTGOQSMOZJQ-UHFFFAOYSA-N
MW435.60 g/mol
LogP5.10
Rot. Bonds4

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

4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide (PubChem CID 42799934) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
PubChem CID42799934
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3nc(C4CC4)nc4sc(C)c(C)c34)CC2)cc1
InChIInChI=1S/C24H29N5OS/c1-4-17-5-9-19(10-6-17)25-24(30)29-13-11-28(12-14-29)22-20-15(2)16(3)31-23(20)27-21(26-22)18-7-8-18/h5-6,9-10,18H,4,7-8,11-14H2,1-3H3,(H,25,30)
InChIKeyPTUMTGOQSMOZJQ-UHFFFAOYSA-N
XLogP5.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.60
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 42799932
N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799978
2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1466637
4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 42799982
N-(4-ethylphenyl)-4-[(7R)-7-methyl-2-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 93118374
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42799949
N-tert-butyl-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799970
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 42799948
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 34009296
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
2-chloro-1-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 42799781
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113112168

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide (CID 42799934) is 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3nc(C4CC4)nc4sc(C)c(C)c34)CC2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is PTUMTGOQSMOZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-4-17-5-9-19(10-6-17)25-24(30)29-13-11-28(12-14-29)22-20-15(2)16(3)31-23(20)27-21(26-22)18-7-8-18/h5-6,9-10,18H,4,7-8,11-14H2,1-3H3,(H,25,30).
What are the key properties of 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 42799934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).