5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine

C12H21N3O2S — CID 72854326

IUPAC5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCS(=O)(=O)CC(C)C)nc1
InChIInChI=1S/C12H21N3O2S/c1-4-11-7-14-12(15-8-11)13-5-6-18(16,17)9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,13,14,15)
InChIKeyDVNYBMALFDOCKW-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.52
Rot. Bonds7

About 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine

5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine (PubChem CID 72854326) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine
PubChem CID72854326
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCS(=O)(=O)CC(C)C)nc1
InChIInChI=1S/C12H21N3O2S/c1-4-11-7-14-12(15-8-11)13-5-6-18(16,17)9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,13,14,15)
InChIKeyDVNYBMALFDOCKW-UHFFFAOYSA-N
XLogP1.52
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine (CID 72854326) is 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine is CCc1cnc(NCCS(=O)(=O)CC(C)C)nc1.
What is the InChIKey of 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
The InChIKey is DVNYBMALFDOCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-11-7-14-12(15-8-11)13-5-6-18(16,17)9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,13,14,15).
What are the key properties of 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine has a molecular weight of 271.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 72854326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).