2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide

C13H17N5O — CID 71789877

IUPAC2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide
SMILESCc1nccn1-c1ncc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H17N5O/c1-9-14-5-6-18(9)12-15-7-10(8-16-12)17-11(19)13(2,3)4/h5-8H,1-4H3,(H,17,19)
InChIKeyRTEQPTLWRFKKQU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.96
Rot. Bonds2

About 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide

2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide (PubChem CID 71789877) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide
PubChem CID71789877
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide
SMILESCc1nccn1-c1ncc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H17N5O/c1-9-14-5-6-18(9)12-15-7-10(8-16-12)17-11(19)13(2,3)4/h5-8H,1-4H3,(H,17,19)
InChIKeyRTEQPTLWRFKKQU-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide (CID 71789877) is 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide is Cc1nccn1-c1ncc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide?
The InChIKey is RTEQPTLWRFKKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-14-5-6-18(9)12-15-7-10(8-16-12)17-11(19)13(2,3)4/h5-8H,1-4H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide?
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 71789877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).