N-(5-propan-2-ylpyrimidin-2-yl)acetamide

C9H13N3O — CID 58015222

IUPACN-(5-propan-2-ylpyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C(C)C)cn1
InChIInChI=1S/C9H13N3O/c1-6(2)8-4-10-9(11-5-8)12-7(3)13/h4-6H,1-3H3,(H,10,11,12,13)
InChIKeySRENZHLIVRXDNW-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.56
Rot. Bonds2

About N-(5-propan-2-ylpyrimidin-2-yl)acetamide

N-(5-propan-2-ylpyrimidin-2-yl)acetamide (PubChem CID 58015222) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(5-propan-2-ylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-propan-2-ylpyrimidin-2-yl)acetamide
PubChem CID58015222
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(5-propan-2-ylpyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C(C)C)cn1
InChIInChI=1S/C9H13N3O/c1-6(2)8-4-10-9(11-5-8)12-7(3)13/h4-6H,1-3H3,(H,10,11,12,13)
InChIKeySRENZHLIVRXDNW-UHFFFAOYSA-N
XLogP1.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.56
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)acetamide?
The IUPAC name of N-(5-propan-2-ylpyrimidin-2-yl)acetamide (CID 58015222) is N-(5-propan-2-ylpyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5-propan-2-ylpyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5-propan-2-ylpyrimidin-2-yl)acetamide is CC(=O)Nc1ncc(C(C)C)cn1.
What is the InChIKey of N-(5-propan-2-ylpyrimidin-2-yl)acetamide?
The InChIKey is SRENZHLIVRXDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(2)8-4-10-9(11-5-8)12-7(3)13/h4-6H,1-3H3,(H,10,11,12,13).
What are the key properties of N-(5-propan-2-ylpyrimidin-2-yl)acetamide?
N-(5-propan-2-ylpyrimidin-2-yl)acetamide has a molecular weight of 179.22 g/mol, XLogP of 1.56, 2 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)acetamide is sourced from PubChem (CID 58015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).