6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine

C12H20N4O2S — CID 91797224

IUPAC6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
SMILESCCS(=O)(=O)CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C12H20N4O2S/c1-2-19(17,18)4-3-14-12-7-11(15-8-16-12)9-5-10(13)6-9/h7-10H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyDLYUCCVYZSBRNH-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.53
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine (PubChem CID 91797224) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
PubChem CID91797224
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
SMILESCCS(=O)(=O)CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C12H20N4O2S/c1-2-19(17,18)4-3-14-12-7-11(15-8-16-12)9-5-10(13)6-9/h7-10H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyDLYUCCVYZSBRNH-UHFFFAOYSA-N
XLogP0.53
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine (CID 91797224) is 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine is CCS(=O)(=O)CCNc1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is DLYUCCVYZSBRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-19(17,18)4-3-14-12-7-11(15-8-16-12)9-5-10(13)6-9/h7-10H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-(2-ethylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 91797224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).