N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide

C17H25N5OS — CID 21062804

IUPACN-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ncnc3sc(CC)cc23)CC1
InChIInChI=1S/C17H25N5OS/c1-3-5-6-18-17(23)22-9-7-21(8-10-22)15-14-11-13(4-2)24-16(14)20-12-19-15/h11-12H,3-10H2,1-2H3,(H,18,23)
InChIKeyYFQQAKZOCBIZAP-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.89
Rot. Bonds5

About N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide

N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 21062804) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID21062804
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ncnc3sc(CC)cc23)CC1
InChIInChI=1S/C17H25N5OS/c1-3-5-6-18-17(23)22-9-7-21(8-10-22)15-14-11-13(4-2)24-16(14)20-12-19-15/h11-12H,3-10H2,1-2H3,(H,18,23)
InChIKeyYFQQAKZOCBIZAP-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-5-oxopentyl]carbamate
CID 21062835
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2,2,3,3,3-pentafluoropropan-1-one
CID 21062625
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 21062709
(4-aminophenyl)-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062733
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 39073089
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062703
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 31539436
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 21062631

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide (CID 21062804) is N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ncnc3sc(CC)cc23)CC1.
What is the InChIKey of N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is YFQQAKZOCBIZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-5-6-18-17(23)22-9-7-21(8-10-22)15-14-11-13(4-2)24-16(14)20-12-19-15/h11-12H,3-10H2,1-2H3,(H,18,23).
What are the key properties of N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide?
N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 21062804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).