N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide

C18H20F2N4O4 — CID 54677528

IUPACN-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2ccc(F)c(F)c2)c(O)c(=O)n1C
InChIInChI=1S/C18H20F2N4O4/c1-23-5-6-28-9-13(23)16-22-14(15(25)18(27)24(16)2)17(26)21-8-10-3-4-11(19)12(20)7-10/h3-4,7,13,25H,5-6,8-9H2,1-2H3,(H,21,26)
InChIKeySUEFDYUGZWEWHM-UHFFFAOYSA-N
MW394.38 g/mol
LogP0.70
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide

N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 54677528) has the molecular formula C18H20F2N4O4 and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID54677528
Molecular FormulaC18H20F2N4O4
Molecular Weight394.38 g/mol
Exact Mass394.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2ccc(F)c(F)c2)c(O)c(=O)n1C
InChIInChI=1S/C18H20F2N4O4/c1-23-5-6-28-9-13(23)16-22-14(15(25)18(27)24(16)2)17(26)21-8-10-3-4-11(19)12(20)7-10/h3-4,7,13,25H,5-6,8-9H2,1-2H3,(H,21,26)
InChIKeySUEFDYUGZWEWHM-UHFFFAOYSA-N
XLogP0.70
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (CID 54677528) is N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is CN1CCOCC1c1nc(C(=O)NCc2ccc(F)c(F)c2)c(O)c(=O)n1C.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is SUEFDYUGZWEWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O4/c1-23-5-6-28-9-13(23)16-22-14(15(25)18(27)24(16)2)17(26)21-8-10-3-4-11(19)12(20)7-10/h3-4,7,13,25H,5-6,8-9H2,1-2H3,(H,21,26).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54677528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).