N-(4-propan-2-ylpyrimidin-2-yl)acetamide

C9H13N3O — CID 58659342

IUPACN-(4-propan-2-ylpyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nccc(C(C)C)n1
InChIInChI=1S/C9H13N3O/c1-6(2)8-4-5-10-9(12-8)11-7(3)13/h4-6H,1-3H3,(H,10,11,12,13)
InChIKeyIFJYKLGAQKACAE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.56
Rot. Bonds2

About N-(4-propan-2-ylpyrimidin-2-yl)acetamide

N-(4-propan-2-ylpyrimidin-2-yl)acetamide (PubChem CID 58659342) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(4-propan-2-ylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylpyrimidin-2-yl)acetamide
PubChem CID58659342
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(4-propan-2-ylpyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nccc(C(C)C)n1
InChIInChI=1S/C9H13N3O/c1-6(2)8-4-5-10-9(12-8)11-7(3)13/h4-6H,1-3H3,(H,10,11,12,13)
InChIKeyIFJYKLGAQKACAE-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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Related Compounds

4-tert-Butylpyrimidin-2-amine
CID 12450631
4-Tert-butyl-2-chloropyrimidine
CID 12450625
4-Cyclopropylpyrimidin-2-amine
CID 3299593
5-[2-(Dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 164627287
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-tert-butyl-N,N-dimethylpyrimidin-2-amine
CID 12450609
4-tert-butyl-N-methylpyrimidin-2-amine
CID 12450610
3-amino-5-[2-(methylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 20399253
4-ethyl-N,N-dimethylpyrimidin-2-amine
CID 44347601
4-Isobutylpyrimidine
CID 565104
4-Cyclohexylpyrimidine
CID 11672715

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylpyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-propan-2-ylpyrimidin-2-yl)acetamide (CID 58659342) is N-(4-propan-2-ylpyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-propan-2-ylpyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-propan-2-ylpyrimidin-2-yl)acetamide is CC(=O)Nc1nccc(C(C)C)n1.
What is the InChIKey of N-(4-propan-2-ylpyrimidin-2-yl)acetamide?
The InChIKey is IFJYKLGAQKACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(2)8-4-5-10-9(12-8)11-7(3)13/h4-6H,1-3H3,(H,10,11,12,13).
What are the key properties of N-(4-propan-2-ylpyrimidin-2-yl)acetamide?
N-(4-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-(4-propan-2-ylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 58659342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).