2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide

C25H26N6OS — CID 66758788

IUPAC2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(c2nc(N)nc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C25H26N6OS/c1-17-7-5-6-10-20(17)27-22(32)16-30-11-13-31(14-12-30)23-19-15-21(18-8-3-2-4-9-18)33-24(19)29-25(26)28-23/h2-10,15H,11-14,16H2,1H3,(H,27,32)(H2,26,28,29)
InChIKeyDNBWQOJDWJNCQS-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.01
Rot. Bonds5

About 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide

2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 66758788) has the molecular formula C25H26N6OS and a molecular weight of 458.59 g/mol. Its IUPAC name is 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID66758788
Molecular FormulaC25H26N6OS
Molecular Weight458.59 g/mol
Exact Mass458.19
IUPAC Name2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(c2nc(N)nc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C25H26N6OS/c1-17-7-5-6-10-20(17)27-22(32)16-30-11-13-31(14-12-30)23-19-15-21(18-8-3-2-4-9-18)33-24(19)29-25(26)28-23/h2-10,15H,11-14,16H2,1H3,(H,27,32)(H2,26,28,29)
InChIKeyDNBWQOJDWJNCQS-UHFFFAOYSA-N
XLogP4.01
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (CID 66758788) is 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCN(c2nc(N)nc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is DNBWQOJDWJNCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6OS/c1-17-7-5-6-10-20(17)27-22(32)16-30-11-13-31(14-12-30)23-19-15-21(18-8-3-2-4-9-18)33-24(19)29-25(26)28-23/h2-10,15H,11-14,16H2,1H3,(H,27,32)(H2,26,28,29).
What are the key properties of 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 458.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 66758788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).