N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

C18H25N7O3 — CID 122294234

IUPACN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cn1
InChIInChI=1S/C18H25N7O3/c1-13-9-18(27)25(12-21-13)11-17(26)20-4-3-19-15-10-16(23-14(2)22-15)24-5-7-28-8-6-24/h9-10,12H,3-8,11H2,1-2H3,(H,20,26)(H,19,22,23)
InChIKeyWTMSYXMSSHEVJX-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.28
Rot. Bonds7

About N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 122294234) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID122294234
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC NameN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cn1
InChIInChI=1S/C18H25N7O3/c1-13-9-18(27)25(12-21-13)11-17(26)20-4-3-19-15-10-16(23-14(2)22-15)24-5-7-28-8-6-24/h9-10,12H,3-8,11H2,1-2H3,(H,20,26)(H,19,22,23)
InChIKeyWTMSYXMSSHEVJX-UHFFFAOYSA-N
XLogP-0.28
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122291212
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544256
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenylmethoxyacetamide
CID 122294181
4-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699188
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
4-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyridine-2-carboxamide
CID 122294062
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700339
4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
CID 122294149
4-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 50945333

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 122294234) is N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cn1.
What is the InChIKey of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is WTMSYXMSSHEVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-13-9-18(27)25(12-21-13)11-17(26)20-4-3-19-15-10-16(23-14(2)22-15)24-5-7-28-8-6-24/h9-10,12H,3-8,11H2,1-2H3,(H,20,26)(H,19,22,23).
What are the key properties of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 122294234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).