4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one

C17H20N4O2S — CID 53369486

IUPAC4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one
SMILESCOc1ccc(-c2csc3c2c(N)nc(=O)n3CCN(C)C)cc1
InChIInChI=1S/C17H20N4O2S/c1-20(2)8-9-21-16-14(15(18)19-17(21)22)13(10-24-16)11-4-6-12(23-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,18,19,22)
InChIKeyAPXQMTYOZPNLCF-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.28
Rot. Bonds5

About 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one

4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one (PubChem CID 53369486) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one
PubChem CID53369486
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one
SMILESCOc1ccc(-c2csc3c2c(N)nc(=O)n3CCN(C)C)cc1
InChIInChI=1S/C17H20N4O2S/c1-20(2)8-9-21-16-14(15(18)19-17(21)22)13(10-24-16)11-4-6-12(23-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,18,19,22)
InChIKeyAPXQMTYOZPNLCF-UHFFFAOYSA-N
XLogP2.28
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one (CID 53369486) is 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one is COc1ccc(-c2csc3c2c(N)nc(=O)n3CCN(C)C)cc1.
What is the InChIKey of 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one?
The InChIKey is APXQMTYOZPNLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-20(2)8-9-21-16-14(15(18)19-17(21)22)13(10-24-16)11-4-6-12(23-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,18,19,22).
What are the key properties of 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one?
4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 53369486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).