3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one

C13H18N2OS — CID 23411257

IUPAC3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCCCn1c(C)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C13H18N2OS/c1-5-6-7-15-10(4)14-12-11(13(15)16)8(2)9(3)17-12/h5-7H2,1-4H3
InChIKeyLSHFZMCQAFLASS-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.18
Rot. Bonds3

About 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one

3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 23411257) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID23411257
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCCCn1c(C)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C13H18N2OS/c1-5-6-7-15-10(4)14-12-11(13(15)16)8(2)9(3)17-12/h5-7H2,1-4H3
InChIKeyLSHFZMCQAFLASS-UHFFFAOYSA-N
XLogP3.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile
CID 42979358
3-butyl-2-(2-ethoxyethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 112774378
N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410608
4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896745
3-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methylpropane-1-sulfonamide
CID 56529051
2-[[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CID 8578066
3-[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]imidazolidine-2,4-dione
CID 35355941
3-butyl-5,6-dimethyl-2-[(3S)-2-oxoazepan-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 41440508
5,6-dimethyl-3-propyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 39112036
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 38866363
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 100906669
3-butyl-2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 22830706

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one (CID 23411257) is 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one is CCCCn1c(C)nc2sc(C)c(C)c2c1=O.
What is the InChIKey of 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is LSHFZMCQAFLASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-5-6-7-15-10(4)14-12-11(13(15)16)8(2)9(3)17-12/h5-7H2,1-4H3.
What are the key properties of 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 250.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 23411257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).