1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

C19H20N4OS — CID 2084332

IUPAC1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C19H20N4OS/c1-13-20-18(23-10-8-22(9-11-23)14(2)24)16-12-17(25-19(16)21-13)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyGVDPWDDOKQHKSU-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.34
Rot. Bonds2

About 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 2084332) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID2084332
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C19H20N4OS/c1-13-20-18(23-10-8-22(9-11-23)14(2)24)16-12-17(25-19(16)21-13)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyGVDPWDDOKQHKSU-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (CID 2084332) is 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is GVDPWDDOKQHKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-20-18(23-10-8-22(9-11-23)14(2)24)16-12-17(25-19(16)21-13)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 352.46 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2084332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).