6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one

C19H19N3O3S — CID 1192600

IUPAC6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-13-16(14-5-3-2-4-6-14)17-18(26-13)20-12-22(19(17)24)11-15(23)21-7-9-25-10-8-21/h2-6,12H,7-11H2,1H3
InChIKeyGPEYRTOBQXWRPN-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.29
Rot. Bonds3

About 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one

6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1192600) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID1192600
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-13-16(14-5-3-2-4-6-14)17-18(26-13)20-12-22(19(17)24)11-15(23)21-7-9-25-10-8-21/h2-6,12H,7-11H2,1H3
InChIKeyGPEYRTOBQXWRPN-UHFFFAOYSA-N
XLogP2.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one (CID 1192600) is 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is GPEYRTOBQXWRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-16(14-5-3-2-4-6-14)17-18(26-13)20-12-22(19(17)24)11-15(23)21-7-9-25-10-8-21/h2-6,12H,7-11H2,1H3.
What are the key properties of 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one?
6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 369.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1192600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).