2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine

C15H23N7O2S — CID 54581398

IUPAC2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1-c1nccc(N2CCC(CCNS(N)(=O)=O)CC2)n1
InChIInChI=1S/C15H23N7O2S/c1-12-17-8-11-22(12)15-18-6-3-14(20-15)21-9-4-13(5-10-21)2-7-19-25(16,23)24/h3,6,8,11,13,19H,2,4-5,7,9-10H2,1H3,(H2,16,23,24)
InChIKeyFFLAASVAQNIHJV-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.37
Rot. Bonds6

About 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine

2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine (PubChem CID 54581398) has the molecular formula C15H23N7O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
PubChem CID54581398
Molecular FormulaC15H23N7O2S
Molecular Weight365.46 g/mol
Exact Mass365.16
IUPAC Name2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1-c1nccc(N2CCC(CCNS(N)(=O)=O)CC2)n1
InChIInChI=1S/C15H23N7O2S/c1-12-17-8-11-22(12)15-18-6-3-14(20-15)21-9-4-13(5-10-21)2-7-19-25(16,23)24/h3,6,8,11,13,19H,2,4-5,7,9-10H2,1H3,(H2,16,23,24)
InChIKeyFFLAASVAQNIHJV-UHFFFAOYSA-N
XLogP0.37
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine 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-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine (CID 54581398) is 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine is Cc1nccn1-c1nccc(N2CCC(CCNS(N)(=O)=O)CC2)n1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The InChIKey is FFLAASVAQNIHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2S/c1-12-17-8-11-22(12)15-18-6-3-14(20-15)21-9-4-13(5-10-21)2-7-19-25(16,23)24/h3,6,8,11,13,19H,2,4-5,7,9-10H2,1H3,(H2,16,23,24).
What are the key properties of 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine has a molecular weight of 365.46 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 54581398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).