2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide

C17H22N6O3 — CID 122353478

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
SMILESCc1ncn(CC(=O)NCc2ccnc(N3CCOCC3)n2)c(=O)c1C
InChIInChI=1S/C17H22N6O3/c1-12-13(2)20-11-23(16(12)25)10-15(24)19-9-14-3-4-18-17(21-14)22-5-7-26-8-6-22/h3-4,11H,5-10H2,1-2H3,(H,19,24)
InChIKeyDGKXVGMIIMVIOT-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.20
Rot. Bonds5

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122353478) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
PubChem CID122353478
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
SMILESCc1ncn(CC(=O)NCc2ccnc(N3CCOCC3)n2)c(=O)c1C
InChIInChI=1S/C17H22N6O3/c1-12-13(2)20-11-23(16(12)25)10-15(24)19-9-14-3-4-18-17(21-14)22-5-7-26-8-6-22/h3-4,11H,5-10H2,1-2H3,(H,19,24)
InChIKeyDGKXVGMIIMVIOT-UHFFFAOYSA-N
XLogP-0.20
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122353494
2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353191
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544343
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122356923
N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785186
4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 122353608
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122353371
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317893
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide (CID 122353478) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide is Cc1ncn(CC(=O)NCc2ccnc(N3CCOCC3)n2)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is DGKXVGMIIMVIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-12-13(2)20-11-23(16(12)25)10-15(24)19-9-14-3-4-18-17(21-14)22-5-7-26-8-6-22/h3-4,11H,5-10H2,1-2H3,(H,19,24).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122353478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).