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

C16H22N4O4S — CID 42589957

IUPAC1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCCCN3CCOCC3)sc2n(C)c1=O
InChIInChI=1S/C16H22N4O4S/c1-18-14(22)11-10-12(25-15(11)19(2)16(18)23)13(21)17-4-3-5-20-6-8-24-9-7-20/h10H,3-9H2,1-2H3,(H,17,21)
InChIKeyVZBGVHPGABSITK-UHFFFAOYSA-N
MW366.44 g/mol
LogP-0.25
Rot. Bonds5

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

1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42589957) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42589957
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCCCN3CCOCC3)sc2n(C)c1=O
InChIInChI=1S/C16H22N4O4S/c1-18-14(22)11-10-12(25-15(11)19(2)16(18)23)13(21)17-4-3-5-20-6-8-24-9-7-20/h10H,3-9H2,1-2H3,(H,17,21)
InChIKeyVZBGVHPGABSITK-UHFFFAOYSA-N
XLogP-0.25
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (CID 42589957) is 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NCCCN3CCOCC3)sc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VZBGVHPGABSITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-18-14(22)11-10-12(25-15(11)19(2)16(18)23)13(21)17-4-3-5-20-6-8-24-9-7-20/h10H,3-9H2,1-2H3,(H,17,21).
What are the key properties of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 366.44 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42589957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).