2-methyl-N-pyrimidin-2-ylpropanamide

C8H11N3O — CID 4694130

IUPAC2-methyl-N-pyrimidin-2-ylpropanamide
SMILESCC(C)C(=O)Nc1ncccn1
InChIInChI=1S/C8H11N3O/c1-6(2)7(12)11-8-9-4-3-5-10-8/h3-6H,1-2H3,(H,9,10,11,12)
InChIKeyMDRUNTRSGGUUIR-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.07
Rot. Bonds2

About 2-methyl-N-pyrimidin-2-ylpropanamide

2-methyl-N-pyrimidin-2-ylpropanamide (PubChem CID 4694130) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-2-ylpropanamide
PubChem CID4694130
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-methyl-N-pyrimidin-2-ylpropanamide
SMILESCC(C)C(=O)Nc1ncccn1
InChIInChI=1S/C8H11N3O/c1-6(2)7(12)11-8-9-4-3-5-10-8/h3-6H,1-2H3,(H,9,10,11,12)
InChIKeyMDRUNTRSGGUUIR-UHFFFAOYSA-N
XLogP1.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-methyl-N-pyrimidin-2-ylpropanamide (CID 4694130) is 2-methyl-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-methyl-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-methyl-N-pyrimidin-2-ylpropanamide is CC(C)C(=O)Nc1ncccn1.
What is the InChIKey of 2-methyl-N-pyrimidin-2-ylpropanamide?
The InChIKey is MDRUNTRSGGUUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(2)7(12)11-8-9-4-3-5-10-8/h3-6H,1-2H3,(H,9,10,11,12).
What are the key properties of 2-methyl-N-pyrimidin-2-ylpropanamide?
2-methyl-N-pyrimidin-2-ylpropanamide has a molecular weight of 165.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 4694130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).