2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide

C14H20F2N4O4 — CID 138011902

IUPAC2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide
SMILESCCn1cc(CNC(=O)N2CCOC(C)(C(F)F)C2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20F2N4O4/c1-3-19-7-9(10(21)18-13(19)23)6-17-12(22)20-4-5-24-14(2,8-20)11(15)16/h7,11H,3-6,8H2,1-2H3,(H,17,22)(H,18,21,23)
InChIKeyCWLZDBOSZUKEHW-UHFFFAOYSA-N
MW346.33 g/mol
LogP0.12
Rot. Bonds4

About 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide

2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide (PubChem CID 138011902) has the molecular formula C14H20F2N4O4 and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide
PubChem CID138011902
Molecular FormulaC14H20F2N4O4
Molecular Weight346.33 g/mol
Exact Mass346.15
IUPAC Name2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide
SMILESCCn1cc(CNC(=O)N2CCOC(C)(C(F)F)C2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20F2N4O4/c1-3-19-7-9(10(21)18-13(19)23)6-17-12(22)20-4-5-24-14(2,8-20)11(15)16/h7,11H,3-6,8H2,1-2H3,(H,17,22)(H,18,21,23)
InChIKeyCWLZDBOSZUKEHW-UHFFFAOYSA-N
XLogP0.12
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide (CID 138011902) is 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide is CCn1cc(CNC(=O)N2CCOC(C)(C(F)F)C2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide?
The InChIKey is CWLZDBOSZUKEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O4/c1-3-19-7-9(10(21)18-13(19)23)6-17-12(22)20-4-5-24-14(2,8-20)11(15)16/h7,11H,3-6,8H2,1-2H3,(H,17,22)(H,18,21,23).
What are the key properties of 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide?
2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 138011902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).