N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide

C10H15N3O — CID 126671005

IUPACN-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1ncc(C(C)C)cn1
InChIInChI=1S/C10H15N3O/c1-7(2)9-4-12-10(13-5-9)6-11-8(3)14/h4-5,7H,6H2,1-3H3,(H,11,14)
InChIKeyFPKQNXLCWXUQIH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.24
Rot. Bonds3

About N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide

N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide (PubChem CID 126671005) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide
PubChem CID126671005
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1ncc(C(C)C)cn1
InChIInChI=1S/C10H15N3O/c1-7(2)9-4-12-10(13-5-9)6-11-8(3)14/h4-5,7H,6H2,1-3H3,(H,11,14)
InChIKeyFPKQNXLCWXUQIH-UHFFFAOYSA-N
XLogP1.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide (CID 126671005) is N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide is CC(=O)NCc1ncc(C(C)C)cn1.
What is the InChIKey of N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is FPKQNXLCWXUQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)9-4-12-10(13-5-9)6-11-8(3)14/h4-5,7H,6H2,1-3H3,(H,11,14).
What are the key properties of N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide?
N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 193.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 126671005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).