2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C22H23N3O2S — CID 135687396

IUPAC2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccc2ccccc2c1CN(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C22H23N3O2S/c1-3-11-27-19-9-8-15-6-4-5-7-16(15)17(19)13-25(2)14-20-23-18-10-12-28-21(18)22(26)24-20/h4-10,12H,3,11,13-14H2,1-2H3,(H,23,24,26)
InChIKeyJLNOGOGDKWHUDZ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.56
Rot. Bonds7

About 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135687396) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135687396
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccc2ccccc2c1CN(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C22H23N3O2S/c1-3-11-27-19-9-8-15-6-4-5-7-16(15)17(19)13-25(2)14-20-23-18-10-12-28-21(18)22(26)24-20/h4-10,12H,3,11,13-14H2,1-2H3,(H,23,24,26)
InChIKeyJLNOGOGDKWHUDZ-UHFFFAOYSA-N
XLogP4.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135910094
2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135777080
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135777082
2-[[(2-hydroxy-2-phenylpropyl)-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136532006
2-[[[(2R)-2-hydroxy-2-phenylpropyl]-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136857776
4-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]naphthalene-1-carboxamide
CID 135926948
2-[[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137303323
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 137294307
2-[[1,3-benzothiazol-2-yl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266156
2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 139672525
2-[[N-(2-hydroxybutyl)anilino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136921656

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135687396) is 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CCCOc1ccc2ccccc2c1CN(C)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JLNOGOGDKWHUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-3-11-27-19-9-8-15-6-4-5-7-16(15)17(19)13-25(2)14-20-23-18-10-12-28-21(18)22(26)24-20/h4-10,12H,3,11,13-14H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 393.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135687396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).