4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide

C23H21ClN6OS — CID 56942033

IUPAC4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESNc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C23H21ClN6OS/c24-16-6-8-17(9-7-16)26-23(31)30-12-10-29(11-13-30)20-18-14-19(15-4-2-1-3-5-15)32-21(18)28-22(25)27-20/h1-9,14H,10-13H2,(H,26,31)(H2,25,27,28)
InChIKeyUMSFRPADYZSSFV-UHFFFAOYSA-N
MW464.98 g/mol
LogP4.95
Rot. Bonds3

About 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide

4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide (PubChem CID 56942033) has the molecular formula C23H21ClN6OS and a molecular weight of 464.98 g/mol. Its IUPAC name is 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
PubChem CID56942033
Molecular FormulaC23H21ClN6OS
Molecular Weight464.98 g/mol
Exact Mass464.12
IUPAC Name4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESNc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C23H21ClN6OS/c24-16-6-8-17(9-7-16)26-23(31)30-12-10-29(11-13-30)20-18-14-19(15-4-2-1-3-5-15)32-21(18)28-22(25)27-20/h1-9,14H,10-13H2,(H,26,31)(H2,25,27,28)
InChIKeyUMSFRPADYZSSFV-UHFFFAOYSA-N
XLogP4.95
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133499013
N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide
CID 53052187
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 118611759
4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 134130759
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122444097
4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 24720206
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide
CID 71572886
4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide
CID 110194603
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 2951839
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide (CID 56942033) is 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide is Nc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is UMSFRPADYZSSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6OS/c24-16-6-8-17(9-7-16)26-23(31)30-12-10-29(11-13-30)20-18-14-19(15-4-2-1-3-5-15)32-21(18)28-22(25)27-20/h1-9,14H,10-13H2,(H,26,31)(H2,25,27,28).
What are the key properties of 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 464.98 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56942033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).