3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide

C15H23BrN6O — CID 118747461

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide
SMILESBr.Cc1cc(C)nc(NCCC(=O)NCCn2ccnc2C)n1
InChIInChI=1S/C15H22N6O.BrH/c1-11-10-12(2)20-15(19-11)18-5-4-14(22)17-7-9-21-8-6-16-13(21)3;/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,22)(H,18,19,20);1H
InChIKeyNXDDMJXVEKYAIX-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.79
Rot. Bonds7

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide (PubChem CID 118747461) has the molecular formula C15H23BrN6O and a molecular weight of 383.29 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide
PubChem CID118747461
Molecular FormulaC15H23BrN6O
Molecular Weight383.29 g/mol
Exact Mass382.11
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide
SMILESBr.Cc1cc(C)nc(NCCC(=O)NCCn2ccnc2C)n1
InChIInChI=1S/C15H22N6O.BrH/c1-11-10-12(2)20-15(19-11)18-5-4-14(22)17-7-9-21-8-6-16-13(21)3;/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,22)(H,18,19,20);1H
InChIKeyNXDDMJXVEKYAIX-UHFFFAOYSA-N
XLogP1.79
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide (CID 118747461) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide is Br.Cc1cc(C)nc(NCCC(=O)NCCn2ccnc2C)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide?
The InChIKey is NXDDMJXVEKYAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.BrH/c1-11-10-12(2)20-15(19-11)18-5-4-14(22)17-7-9-21-8-6-16-13(21)3;/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,22)(H,18,19,20);1H.
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide has a molecular weight of 383.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide;hydrobromide is sourced from PubChem (CID 118747461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).