4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine

C14H20N6O2S — CID 56919998

IUPAC4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1ncn(-c2cc(N3CCN(S(C)(=O)=O)CC3)ncn2)c1C
InChIInChI=1S/C14H20N6O2S/c1-11-12(2)20(10-17-11)14-8-13(15-9-16-14)18-4-6-19(7-5-18)23(3,21)22/h8-10H,4-7H2,1-3H3
InChIKeyURLLCEMUYCTEID-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.36
Rot. Bonds3

About 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine

4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 56919998) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID56919998
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1ncn(-c2cc(N3CCN(S(C)(=O)=O)CC3)ncn2)c1C
InChIInChI=1S/C14H20N6O2S/c1-11-12(2)20(10-17-11)14-8-13(15-9-16-14)18-4-6-19(7-5-18)23(3,21)22/h8-10H,4-7H2,1-3H3
InChIKeyURLLCEMUYCTEID-UHFFFAOYSA-N
XLogP0.36
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine (CID 56919998) is 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine is Cc1ncn(-c2cc(N3CCN(S(C)(=O)=O)CC3)ncn2)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is URLLCEMUYCTEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-11-12(2)20(10-17-11)14-8-13(15-9-16-14)18-4-6-19(7-5-18)23(3,21)22/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 336.42 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 56919998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).