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

C12H20N4O — CID 59137442

IUPACN-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CNc1nccc(C(C)C)n1
InChIInChI=1S/C12H20N4O/c1-8(2)11-5-6-13-12(16-11)14-7-9(3)15-10(4)17/h5-6,8-9H,7H2,1-4H3,(H,15,17)(H,13,14,16)/t9-/m0/s1
InChIKeyNKRHNOGXNJPPOY-VIFPVBQESA-N
MW236.32 g/mol
LogP1.54
Rot. Bonds5

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

N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide (PubChem CID 59137442) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
PubChem CID59137442
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CNc1nccc(C(C)C)n1
InChIInChI=1S/C12H20N4O/c1-8(2)11-5-6-13-12(16-11)14-7-9(3)15-10(4)17/h5-6,8-9H,7H2,1-4H3,(H,15,17)(H,13,14,16)/t9-/m0/s1
InChIKeyNKRHNOGXNJPPOY-VIFPVBQESA-N
XLogP1.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide (CID 59137442) is N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide is CC(=O)N[C@@H](C)CNc1nccc(C(C)C)n1.
What is the InChIKey of N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The InChIKey is NKRHNOGXNJPPOY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)11-5-6-13-12(16-11)14-7-9(3)15-10(4)17/h5-6,8-9H,7H2,1-4H3,(H,15,17)(H,13,14,16)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide is sourced from PubChem (CID 59137442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).