1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

C15H20N4O4S — CID 42589953

IUPAC1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2n(C)c1=O
InChIInChI=1S/C15H20N4O4S/c1-17-13(21)10-9-11(24-14(10)18(2)15(17)22)12(20)16-3-4-19-5-7-23-8-6-19/h9H,3-8H2,1-2H3,(H,16,20)
InChIKeyCFZVHROLOXGFBA-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.64
Rot. Bonds4

About 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42589953) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42589953
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2n(C)c1=O
InChIInChI=1S/C15H20N4O4S/c1-17-13(21)10-9-11(24-14(10)18(2)15(17)22)12(20)16-3-4-19-5-7-23-8-6-19/h9H,3-8H2,1-2H3,(H,16,20)
InChIKeyCFZVHROLOXGFBA-UHFFFAOYSA-N
XLogP-0.64
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (CID 42589953) is 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CFZVHROLOXGFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-17-13(21)10-9-11(24-14(10)18(2)15(17)22)12(20)16-3-4-19-5-7-23-8-6-19/h9H,3-8H2,1-2H3,(H,16,20).
What are the key properties of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 352.42 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42589953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).