N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

C17H23N5OS — CID 31539436

IUPACN-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCCc1cc2c(N3CCN(CC(=O)NC4CC4)CC3)ncnc2s1
InChIInChI=1S/C17H23N5OS/c1-2-13-9-14-16(18-11-19-17(14)24-13)22-7-5-21(6-8-22)10-15(23)20-12-3-4-12/h9,11-12H,2-8,10H2,1H3,(H,20,23)
InChIKeyMHNGAEJTHWWTRF-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.65
Rot. Bonds5

About N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 31539436) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID31539436
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCCc1cc2c(N3CCN(CC(=O)NC4CC4)CC3)ncnc2s1
InChIInChI=1S/C17H23N5OS/c1-2-13-9-14-16(18-11-19-17(14)24-13)22-7-5-21(6-8-22)10-15(23)20-12-3-4-12/h9,11-12H,2-8,10H2,1H3,(H,20,23)
InChIKeyMHNGAEJTHWWTRF-UHFFFAOYSA-N
XLogP1.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (CID 31539436) is N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is CCc1cc2c(N3CCN(CC(=O)NC4CC4)CC3)ncnc2s1.
What is the InChIKey of N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is MHNGAEJTHWWTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-2-13-9-14-16(18-11-19-17(14)24-13)22-7-5-21(6-8-22)10-15(23)20-12-3-4-12/h9,11-12H,2-8,10H2,1H3,(H,20,23).
What are the key properties of N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 31539436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).