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

C16H17N3O2S — CID 135527999

IUPAC2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(CCOc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C16H17N3O2S/c1-19(8-9-21-12-5-3-2-4-6-12)11-14-17-13-7-10-22-15(13)16(20)18-14/h2-7,10H,8-9,11H2,1H3,(H,17,18,20)
InChIKeyCMJNSTJICHNXRM-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.50
Rot. Bonds6

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

2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135527999) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135527999
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(CCOc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C16H17N3O2S/c1-19(8-9-21-12-5-3-2-4-6-12)11-14-17-13-7-10-22-15(13)16(20)18-14/h2-7,10H,8-9,11H2,1H3,(H,17,18,20)
InChIKeyCMJNSTJICHNXRM-UHFFFAOYSA-N
XLogP2.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135527999) is 2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CN(CCOc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CMJNSTJICHNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-19(8-9-21-12-5-3-2-4-6-12)11-14-17-13-7-10-22-15(13)16(20)18-14/h2-7,10H,8-9,11H2,1H3,(H,17,18,20).
What are the key properties of 2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 315.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135527999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).