1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone

C16H23N5O2S — CID 70536398

IUPAC1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCCc1cc2c(NCCO)nc(N3CCN(C(C)=O)CC3)nc2s1
InChIInChI=1S/C16H23N5O2S/c1-3-12-10-13-14(17-4-9-22)18-16(19-15(13)24-12)21-7-5-20(6-8-21)11(2)23/h10,22H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyNHBAKBXVRWWLET-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.33
Rot. Bonds5

About 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 70536398) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID70536398
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCCc1cc2c(NCCO)nc(N3CCN(C(C)=O)CC3)nc2s1
InChIInChI=1S/C16H23N5O2S/c1-3-12-10-13-14(17-4-9-22)18-16(19-15(13)24-12)21-7-5-20(6-8-21)11(2)23/h10,22H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyNHBAKBXVRWWLET-UHFFFAOYSA-N
XLogP1.33
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 6460527
N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 70536745
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide
CID 91124246
ethyl 1-[6-ethyl-4-[(4-fluorophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 23289765
3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 654691
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 91965311
1-[4-[6-ethyl-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 11950156
N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103335611
tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062816
2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 103327253
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone (CID 70536398) is 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone is CCc1cc2c(NCCO)nc(N3CCN(C(C)=O)CC3)nc2s1.
What is the InChIKey of 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is NHBAKBXVRWWLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-12-10-13-14(17-4-9-22)18-16(19-15(13)24-12)21-7-5-20(6-8-21)11(2)23/h10,22H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 349.46 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-ethyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70536398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).