2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide

C13H22N4O2 — CID 59137287

IUPAC2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
SMILESCOCC(=O)N[C@H](C)CNc1nccc(C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)11-5-6-14-13(17-11)15-7-10(3)16-12(18)8-19-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)(H,14,15,17)/t10-/m1/s1
InChIKeyJSCDDURNWXYNST-SNVBAGLBSA-N
MW266.35 g/mol
LogP1.16
Rot. Bonds7

About 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide

2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide (PubChem CID 59137287) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
PubChem CID59137287
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC Name2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
SMILESCOCC(=O)N[C@H](C)CNc1nccc(C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)11-5-6-14-13(17-11)15-7-10(3)16-12(18)8-19-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)(H,14,15,17)/t10-/m1/s1
InChIKeyJSCDDURNWXYNST-SNVBAGLBSA-N
XLogP1.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide (CID 59137287) is 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide is COCC(=O)N[C@H](C)CNc1nccc(C(C)C)n1.
What is the InChIKey of 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The InChIKey is JSCDDURNWXYNST-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)11-5-6-14-13(17-11)15-7-10(3)16-12(18)8-19-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)(H,14,15,17)/t10-/m1/s1.
What are the key properties of 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide has a molecular weight of 266.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide is sourced from PubChem (CID 59137287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).