2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one

C19H18N4OS2 — CID 8000214

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(Sc2ncnc3sc(C)c(C)c23)nc2ccccc2c1=O
InChIInChI=1S/C19H18N4OS2/c1-4-9-23-18(24)13-7-5-6-8-14(13)22-19(23)26-17-15-11(2)12(3)25-16(15)20-10-21-17/h5-8,10H,4,9H2,1-3H3
InChIKeyHYNRTYLWYURFJZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.58
Rot. Bonds4

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one (PubChem CID 8000214) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one
PubChem CID8000214
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(Sc2ncnc3sc(C)c(C)c23)nc2ccccc2c1=O
InChIInChI=1S/C19H18N4OS2/c1-4-9-23-18(24)13-7-5-6-8-14(13)22-19(23)26-17-15-11(2)12(3)25-16(15)20-10-21-17/h5-8,10H,4,9H2,1-3H3
InChIKeyHYNRTYLWYURFJZ-UHFFFAOYSA-N
XLogP4.58
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylquinazolin-4-one
CID 2561852
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one
CID 26441666
2-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2102879
2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one
CID 56584528
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]isoindole-1,3-dione
CID 1190211
3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one
CID 133427777
5,6-dimethyl-2-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 7988044
2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one
CID 110931345
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 133425474
1-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35358841
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol
CID 54910806

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one (CID 8000214) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one is CCCn1c(Sc2ncnc3sc(C)c(C)c23)nc2ccccc2c1=O.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one?
The InChIKey is HYNRTYLWYURFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-4-9-23-18(24)13-7-5-6-8-14(13)22-19(23)26-17-15-11(2)12(3)25-16(15)20-10-21-17/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one has a molecular weight of 382.51 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 8000214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).