5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C19H20ClN3O2S — CID 5181890

IUPAC5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C19H20ClN3O2S/c1-11-7-23(8-12(2)25-11)9-16-21-18(24)17-15(10-26-19(17)22-16)13-3-5-14(20)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,21,22,24)
InChIKeyXDUYYHVIOXXGBU-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.91
Rot. Bonds3

About 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 5181890) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID5181890
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C19H20ClN3O2S/c1-11-7-23(8-12(2)25-11)9-16-21-18(24)17-15(10-26-19(17)22-16)13-3-5-14(20)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,21,22,24)
InChIKeyXDUYYHVIOXXGBU-UHFFFAOYSA-N
XLogP3.91
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 5181890) is 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is CC1CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)CC(C)O1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is XDUYYHVIOXXGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-11-7-23(8-12(2)25-11)9-16-21-18(24)17-15(10-26-19(17)22-16)13-3-5-14(20)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,21,22,24).
What are the key properties of 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 389.91 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5181890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).