2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

C16H21N5OS — CID 167805678

IUPAC2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1csc2c(N3CCN(C(=O)CN)CC3)nc(C3CC3)nc12
InChIInChI=1S/C16H21N5OS/c1-10-9-23-14-13(10)18-15(11-2-3-11)19-16(14)21-6-4-20(5-7-21)12(22)8-17/h9,11H,2-8,17H2,1H3
InChIKeyHDDTZVBQKBYHAR-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 167805678) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID167805678
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1csc2c(N3CCN(C(=O)CN)CC3)nc(C3CC3)nc12
InChIInChI=1S/C16H21N5OS/c1-10-9-23-14-13(10)18-15(11-2-3-11)19-16(14)21-6-4-20(5-7-21)12(22)8-17/h9,11H,2-8,17H2,1H3
InChIKeyHDDTZVBQKBYHAR-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (CID 167805678) is 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is Cc1csc2c(N3CCN(C(=O)CN)CC3)nc(C3CC3)nc12.
What is the InChIKey of 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is HDDTZVBQKBYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10-9-23-14-13(10)18-15(11-2-3-11)19-16(14)21-6-4-20(5-7-21)12(22)8-17/h9,11H,2-8,17H2,1H3.
What are the key properties of 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 331.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 167805678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).