2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide

C19H22N6OS — CID 46231854

IUPAC2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(c2nc(N)nc3sccc23)CC1)c1ccccc1
InChIInChI=1S/C19H22N6OS/c1-23(14-5-3-2-4-6-14)16(26)13-24-8-10-25(11-9-24)17-15-7-12-27-18(15)22-19(20)21-17/h2-7,12H,8-11,13H2,1H3,(H2,20,21,22)
InChIKeyWBMYAUPBDJIBKB-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.06
Rot. Bonds4

About 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide

2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 46231854) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID46231854
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(c2nc(N)nc3sccc23)CC1)c1ccccc1
InChIInChI=1S/C19H22N6OS/c1-23(14-5-3-2-4-6-14)16(26)13-24-8-10-25(11-9-24)17-15-7-12-27-18(15)22-19(20)21-17/h2-7,12H,8-11,13H2,1H3,(H2,20,21,22)
InChIKeyWBMYAUPBDJIBKB-UHFFFAOYSA-N
XLogP2.06
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide (CID 46231854) is 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCN(c2nc(N)nc3sccc23)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is WBMYAUPBDJIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-23(14-5-3-2-4-6-14)16(26)13-24-8-10-25(11-9-24)17-15-7-12-27-18(15)22-19(20)21-17/h2-7,12H,8-11,13H2,1H3,(H2,20,21,22).
What are the key properties of 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 382.49 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 46231854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).