3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one

C17H18N2OS — CID 10709216

IUPAC3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one
SMILESCCCCc1nc2ccsc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-2-3-9-15-18-14-10-11-21-16(14)17(20)19(15)12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3
InChIKeyYBGLUEMHERYXLN-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.85
Rot. Bonds5

About 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one

3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one (PubChem CID 10709216) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one
PubChem CID10709216
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one
SMILESCCCCc1nc2ccsc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-2-3-9-15-18-14-10-11-21-16(14)17(20)19(15)12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3
InChIKeyYBGLUEMHERYXLN-UHFFFAOYSA-N
XLogP3.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 3310123
3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 793586
2-[(3,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methylphenyl)acetamide
CID 6491564
2-phenyl-6,7-dihydropyrrolo[1,2-a]thieno[3,2-d]pyrimidin-9(5H)-one
CID 900065
3-butyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1566536
{[3-(3-Methylbutyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]thio}acetonitrile
CID 3244591
2-(N-ethyl-3-methylanilino)thieno[3,2-d][1,3]thiazin-4-one
CID 9551123
2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 901616
2-(Benzylsulfanyl)thieno[3,2-d]pyrimidin-4-ol
CID 135439659
2-methyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 901672
3-pentyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1566535

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one (CID 10709216) is 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one is CCCCc1nc2ccsc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is YBGLUEMHERYXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-3-9-15-18-14-10-11-21-16(14)17(20)19(15)12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3.
What are the key properties of 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one?
3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 298.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-butylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 10709216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).