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

C21H25N5O3 — CID 53201968

IUPAC2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(N2CCOCC2)nc2cc(C)n(C)c2c1=O
InChIInChI=1S/C21H25N5O3/c1-14-6-4-5-7-16(14)22-18(27)13-26-20(28)19-17(12-15(2)24(19)3)23-21(26)25-8-10-29-11-9-25/h4-7,12H,8-11,13H2,1-3H3,(H,22,27)
InChIKeyVGNZSAGMKLXFCL-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.83
Rot. Bonds4

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

2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide (PubChem CID 53201968) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
PubChem CID53201968
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(N2CCOCC2)nc2cc(C)n(C)c2c1=O
InChIInChI=1S/C21H25N5O3/c1-14-6-4-5-7-16(14)22-18(27)13-26-20(28)19-17(12-15(2)24(19)3)23-21(26)25-8-10-29-11-9-25/h4-7,12H,8-11,13H2,1-3H3,(H,22,27)
InChIKeyVGNZSAGMKLXFCL-UHFFFAOYSA-N
XLogP1.83
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-difluorophenyl)-2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)acetamide
CID 53201986
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)-N-(2-methylphenyl)acetamide
CID 91908725
N-(2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 25238568
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 53201857
1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 91968661
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
CID 55615324
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 47001484
N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
CID 22425713
N-(2-methylphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196384
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide (CID 53201968) is 2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1c(N2CCOCC2)nc2cc(C)n(C)c2c1=O.
What is the InChIKey of 2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is VGNZSAGMKLXFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-6-4-5-7-16(14)22-18(27)13-26-20(28)19-17(12-15(2)24(19)3)23-21(26)25-8-10-29-11-9-25/h4-7,12H,8-11,13H2,1-3H3,(H,22,27).
What are the key properties of 2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide?
2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 53201968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).