N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine

C18H26N6O2S — CID 69066560

IUPACN-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
SMILESC=CS(=O)(=O)N1CCC(Nc2nccc(-c3cnc(C)n3C(C)C)n2)CC1
InChIInChI=1S/C18H26N6O2S/c1-5-27(25,26)23-10-7-15(8-11-23)21-18-19-9-6-16(22-18)17-12-20-14(4)24(17)13(2)3/h5-6,9,12-13,15H,1,7-8,10-11H2,2-4H3,(H,19,21,22)
InChIKeyYUGYZMBUVKTAPG-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.58
Rot. Bonds6

About N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine

N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine (PubChem CID 69066560) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
PubChem CID69066560
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC NameN-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
SMILESC=CS(=O)(=O)N1CCC(Nc2nccc(-c3cnc(C)n3C(C)C)n2)CC1
InChIInChI=1S/C18H26N6O2S/c1-5-27(25,26)23-10-7-15(8-11-23)21-18-19-9-6-16(22-18)17-12-20-14(4)24(17)13(2)3/h5-6,9,12-13,15H,1,7-8,10-11H2,2-4H3,(H,19,21,22)
InChIKeyYUGYZMBUVKTAPG-UHFFFAOYSA-N
XLogP2.58
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine (CID 69066560) is N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine is C=CS(=O)(=O)N1CCC(Nc2nccc(-c3cnc(C)n3C(C)C)n2)CC1.
What is the InChIKey of N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
The InChIKey is YUGYZMBUVKTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-5-27(25,26)23-10-7-15(8-11-23)21-18-19-9-6-16(22-18)17-12-20-14(4)24(17)13(2)3/h5-6,9,12-13,15H,1,7-8,10-11H2,2-4H3,(H,19,21,22).
What are the key properties of N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine has a molecular weight of 390.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 69066560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).