4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine

C18H26N6O2S — CID 110110927

IUPAC4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN2C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C18H26N6O2S/c1-13-21-15(12-16(22-13)18-19-7-8-20-18)17-4-3-9-24(17)14-5-10-23(11-6-14)27(2,25)26/h7-8,12,14,17H,3-6,9-11H2,1-2H3,(H,19,20)
InChIKeyPFAHODATJWMVFE-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.74
Rot. Bonds4

About 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine

4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine (PubChem CID 110110927) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
PubChem CID110110927
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN2C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C18H26N6O2S/c1-13-21-15(12-16(22-13)18-19-7-8-20-18)17-4-3-9-24(17)14-5-10-23(11-6-14)27(2,25)26/h7-8,12,14,17H,3-6,9-11H2,1-2H3,(H,19,20)
InChIKeyPFAHODATJWMVFE-UHFFFAOYSA-N
XLogP1.74
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine?
The IUPAC name of 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine (CID 110110927) is 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine is Cc1nc(-c2ncc[nH]2)cc(C2CCCN2C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine?
The InChIKey is PFAHODATJWMVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-13-21-15(12-16(22-13)18-19-7-8-20-18)17-4-3-9-24(17)14-5-10-23(11-6-14)27(2,25)26/h7-8,12,14,17H,3-6,9-11H2,1-2H3,(H,19,20).
What are the key properties of 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine?
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine has a molecular weight of 390.51 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 110110927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).