N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide

C20H21F2N5O3 — CID 53201986

IUPACN-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2nc(N3CCOCC3)n(CC(=O)Nc3ccc(F)c(F)c3)c(=O)c2n1C
InChIInChI=1S/C20H21F2N5O3/c1-12-9-16-18(25(12)2)19(29)27(20(24-16)26-5-7-30-8-6-26)11-17(28)23-13-3-4-14(21)15(22)10-13/h3-4,9-10H,5-8,11H2,1-2H3,(H,23,28)
InChIKeyUFDXSBWUMSHPEA-UHFFFAOYSA-N
MW417.42 g/mol
LogP1.80
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide

N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 53201986) has the molecular formula C20H21F2N5O3 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID53201986
Molecular FormulaC20H21F2N5O3
Molecular Weight417.42 g/mol
Exact Mass417.16
IUPAC NameN-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2nc(N3CCOCC3)n(CC(=O)Nc3ccc(F)c(F)c3)c(=O)c2n1C
InChIInChI=1S/C20H21F2N5O3/c1-12-9-16-18(25(12)2)19(29)27(20(24-16)26-5-7-30-8-6-26)11-17(28)23-13-3-4-14(21)15(22)10-13/h3-4,9-10H,5-8,11H2,1-2H3,(H,23,28)
InChIKeyUFDXSBWUMSHPEA-UHFFFAOYSA-N
XLogP1.80
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 53201968
N-(3,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688906
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 25465766
2-(5-chloro-2-morpholin-4-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 7922878
1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea
CID 122253781
ethyl 4-[[2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 91903965
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53091170
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 53201857
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
N-(3,4-difluorophenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680300

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide (CID 53201986) is N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide is Cc1cc2nc(N3CCOCC3)n(CC(=O)Nc3ccc(F)c(F)c3)c(=O)c2n1C.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is UFDXSBWUMSHPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3/c1-12-9-16-18(25(12)2)19(29)27(20(24-16)26-5-7-30-8-6-26)11-17(28)23-13-3-4-14(21)15(22)10-13/h3-4,9-10H,5-8,11H2,1-2H3,(H,23,28).
What are the key properties of N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide?
N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 417.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 53201986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).