2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide

C20H25N5O3 — CID 95863044

IUPAC2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCOC[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C20H25N5O3/c1-13-17(14(2)23-20(21)22-13)11-19(27)25-8-9-28-12-16(25)10-18(26)24-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,24,26)(H2,21,22,23)/t16-/m1/s1
InChIKeyGUMIYJCJGZTZPC-MRXNPFEDSA-N
MW383.45 g/mol
LogP1.47
Rot. Bonds5

About 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide

2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide (PubChem CID 95863044) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide
PubChem CID95863044
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCOC[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C20H25N5O3/c1-13-17(14(2)23-20(21)22-13)11-19(27)25-8-9-28-12-16(25)10-18(26)24-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,24,26)(H2,21,22,23)/t16-/m1/s1
InChIKeyGUMIYJCJGZTZPC-MRXNPFEDSA-N
XLogP1.47
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide (CID 95863044) is 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide is Cc1nc(N)nc(C)c1CC(=O)N1CCOC[C@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide?
The InChIKey is GUMIYJCJGZTZPC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-17(14(2)23-20(21)22-13)11-19(27)25-8-9-28-12-16(25)10-18(26)24-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,24,26)(H2,21,22,23)/t16-/m1/s1.
What are the key properties of 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide?
2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide has a molecular weight of 383.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 95863044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).