4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine

C15H23N7O2S — CID 54584343

IUPAC4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1-c1cc(N2CCC(CCNS(N)(=O)=O)CC2)ncn1
InChIInChI=1S/C15H23N7O2S/c1-12-17-6-9-22(12)15-10-14(18-11-19-15)21-7-3-13(4-8-21)2-5-20-25(16,23)24/h6,9-11,13,20H,2-5,7-8H2,1H3,(H2,16,23,24)
InChIKeyCQWHHYJHFMHAAR-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.37
Rot. Bonds6

About 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine

4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine (PubChem CID 54584343) has the molecular formula C15H23N7O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
PubChem CID54584343
Molecular FormulaC15H23N7O2S
Molecular Weight365.46 g/mol
Exact Mass365.16
IUPAC Name4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1-c1cc(N2CCC(CCNS(N)(=O)=O)CC2)ncn1
InChIInChI=1S/C15H23N7O2S/c1-12-17-6-9-22(12)15-10-14(18-11-19-15)21-7-3-13(4-8-21)2-5-20-25(16,23)24/h6,9-11,13,20H,2-5,7-8H2,1H3,(H2,16,23,24)
InChIKeyCQWHHYJHFMHAAR-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine (CID 54584343) is 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine is Cc1nccn1-c1cc(N2CCC(CCNS(N)(=O)=O)CC2)ncn1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The InChIKey is CQWHHYJHFMHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2S/c1-12-17-6-9-22(12)15-10-14(18-11-19-15)21-7-3-13(4-8-21)2-5-20-25(16,23)24/h6,9-11,13,20H,2-5,7-8H2,1H3,(H2,16,23,24).
What are the key properties of 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
4-(2-methylimidazol-1-yl)-6-[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 4-(2-methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 54584343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).