N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine

C14H20N6O2S — CID 121187690

IUPACN-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine
SMILESCC(C)c1nc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cn1C
InChIInChI=1S/C14H20N6O2S/c1-10(2)13-18-12(9-19(13)3)23(21,22)20-7-11(8-20)17-14-15-5-4-6-16-14/h4-6,9-11H,7-8H2,1-3H3,(H,15,16,17)
InChIKeyIGYLSMXAUFYVDU-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.82
Rot. Bonds5

About N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine

N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine (PubChem CID 121187690) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine
PubChem CID121187690
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC NameN-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine
SMILESCC(C)c1nc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cn1C
InChIInChI=1S/C14H20N6O2S/c1-10(2)13-18-12(9-19(13)3)23(21,22)20-7-11(8-20)17-14-15-5-4-6-16-14/h4-6,9-11H,7-8H2,1-3H3,(H,15,16,17)
InChIKeyIGYLSMXAUFYVDU-UHFFFAOYSA-N
XLogP0.82
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine (CID 121187690) is N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine is CC(C)c1nc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cn1C.
What is the InChIKey of N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
The InChIKey is IGYLSMXAUFYVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-10(2)13-18-12(9-19(13)3)23(21,22)20-7-11(8-20)17-14-15-5-4-6-16-14/h4-6,9-11H,7-8H2,1-3H3,(H,15,16,17).
What are the key properties of N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine has a molecular weight of 336.42 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 121187690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).