2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one

C24H27N5O2S2 — CID 26441666

IUPAC2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(Sc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)nc2ccccc2c1=O
InChIInChI=1S/C24H27N5O2S2/c1-4-9-29-23(30)17-7-5-6-8-18(17)25-24(29)33-22-20-15(2)16(3)32-21(20)26-19(27-22)14-28-10-12-31-13-11-28/h5-8H,4,9-14H2,1-3H3
InChIKeyXWMDVPXVWRVFPM-UHFFFAOYSA-N
MW481.65 g/mol
LogP4.41
Rot. Bonds6

About 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one

2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one (PubChem CID 26441666) has the molecular formula C24H27N5O2S2 and a molecular weight of 481.65 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one
PubChem CID26441666
Molecular FormulaC24H27N5O2S2
Molecular Weight481.65 g/mol
Exact Mass481.16
IUPAC Name2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(Sc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)nc2ccccc2c1=O
InChIInChI=1S/C24H27N5O2S2/c1-4-9-29-23(30)17-7-5-6-8-18(17)25-24(29)33-22-20-15(2)16(3)32-21(20)26-19(27-22)14-28-10-12-31-13-11-28/h5-8H,4,9-14H2,1-3H3
InChIKeyXWMDVPXVWRVFPM-UHFFFAOYSA-N
XLogP4.41
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one
CID 8000214
4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 24566190
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 9022960
4-[[5,6-dimethyl-4-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 133408485
3-benzyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylquinazolin-4-one
CID 2561852
4-[[5,6-dimethyl-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 17454543
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4817620
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 18075011
2-[2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinazolin-4-one
CID 166186020
5,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1170083
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one (CID 26441666) is 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one is CCCn1c(Sc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)nc2ccccc2c1=O.
What is the InChIKey of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one?
The InChIKey is XWMDVPXVWRVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S2/c1-4-9-29-23(30)17-7-5-6-8-18(17)25-24(29)33-22-20-15(2)16(3)32-21(20)26-19(27-22)14-28-10-12-31-13-11-28/h5-8H,4,9-14H2,1-3H3.
What are the key properties of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one?
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one has a molecular weight of 481.65 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 26441666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).