2,2-dimethyl-N-pyrimidin-2-ylpropanamide

C9H13N3O — CID 3524781

IUPAC2,2-dimethyl-N-pyrimidin-2-ylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccn1
InChIInChI=1S/C9H13N3O/c1-9(2,3)7(13)12-8-10-5-4-6-11-8/h4-6H,1-3H3,(H,10,11,12,13)
InChIKeyFDSDCQFFMLXXFA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.46
Rot. Bonds1

About 2,2-dimethyl-N-pyrimidin-2-ylpropanamide

2,2-dimethyl-N-pyrimidin-2-ylpropanamide (PubChem CID 3524781) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,2-dimethyl-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-pyrimidin-2-ylpropanamide
PubChem CID3524781
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2,2-dimethyl-N-pyrimidin-2-ylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccn1
InChIInChI=1S/C9H13N3O/c1-9(2,3)7(13)12-8-10-5-4-6-11-8/h4-6H,1-3H3,(H,10,11,12,13)
InChIKeyFDSDCQFFMLXXFA-UHFFFAOYSA-N
XLogP1.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2,2-dimethyl-N-pyrimidin-2-ylpropanamide (CID 3524781) is 2,2-dimethyl-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-pyrimidin-2-ylpropanamide is CC(C)(C)C(=O)Nc1ncccn1.
What is the InChIKey of 2,2-dimethyl-N-pyrimidin-2-ylpropanamide?
The InChIKey is FDSDCQFFMLXXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(2,3)7(13)12-8-10-5-4-6-11-8/h4-6H,1-3H3,(H,10,11,12,13).
What are the key properties of 2,2-dimethyl-N-pyrimidin-2-ylpropanamide?
2,2-dimethyl-N-pyrimidin-2-ylpropanamide has a molecular weight of 179.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 3524781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).