3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one

C16H24N4O2S — CID 111497020

IUPAC3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCC(CO)N1CCN(CCn2cnc3ccsc3c2=O)CC1
InChIInChI=1S/C16H24N4O2S/c1-2-13(11-21)19-7-4-18(5-8-19)6-9-20-12-17-14-3-10-23-15(14)16(20)22/h3,10,12-13,21H,2,4-9,11H2,1H3
InChIKeyIJZPCRKWDBSWSH-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.85
Rot. Bonds6

About 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 111497020) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID111497020
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCC(CO)N1CCN(CCn2cnc3ccsc3c2=O)CC1
InChIInChI=1S/C16H24N4O2S/c1-2-13(11-21)19-7-4-18(5-8-19)6-9-20-12-17-14-3-10-23-15(14)16(20)22/h3,10,12-13,21H,2,4-9,11H2,1H3
InChIKeyIJZPCRKWDBSWSH-UHFFFAOYSA-N
XLogP0.85
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745
3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 116620730
3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111750060
2-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136924583
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
CID 116620736
3-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39809006
3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39754273
3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one
CID 106731636
3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
CID 62563421
3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one
CID 146082880

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one (CID 111497020) is 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one is CCC(CO)N1CCN(CCn2cnc3ccsc3c2=O)CC1.
What is the InChIKey of 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IJZPCRKWDBSWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-2-13(11-21)19-7-4-18(5-8-19)6-9-20-12-17-14-3-10-23-15(14)16(20)22/h3,10,12-13,21H,2,4-9,11H2,1H3.
What are the key properties of 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 336.46 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 111497020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).