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

C14H21N7O2S — CID 54584344

IUPAC4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1-c1cc(N2CCC(CNS(N)(=O)=O)CC2)ncn1
InChIInChI=1S/C14H21N7O2S/c1-11-16-4-7-21(11)14-8-13(17-10-18-14)20-5-2-12(3-6-20)9-19-24(15,22)23/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H2,15,22,23)
InChIKeyFPUGWDATEZQYTQ-UHFFFAOYSA-N
MW351.44 g/mol
LogP-0.02
Rot. Bonds5

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

4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine (PubChem CID 54584344) has the molecular formula C14H21N7O2S and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
PubChem CID54584344
Molecular FormulaC14H21N7O2S
Molecular Weight351.44 g/mol
Exact Mass351.15
IUPAC Name4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1-c1cc(N2CCC(CNS(N)(=O)=O)CC2)ncn1
InChIInChI=1S/C14H21N7O2S/c1-11-16-4-7-21(11)14-8-13(17-10-18-14)20-5-2-12(3-6-20)9-19-24(15,22)23/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H2,15,22,23)
InChIKeyFPUGWDATEZQYTQ-UHFFFAOYSA-N
XLogP-0.02
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 5-0.02
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-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine (CID 54584344) is 4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine is Cc1nccn1-c1cc(N2CCC(CNS(N)(=O)=O)CC2)ncn1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is FPUGWDATEZQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2S/c1-11-16-4-7-21(11)14-8-13(17-10-18-14)20-5-2-12(3-6-20)9-19-24(15,22)23/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H2,15,22,23).
What are the key properties of 4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
4-(2-methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 351.44 g/mol, XLogP of -0.02, 5 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-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 54584344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).