6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine

C11H16ClN3O2S — CID 80971290

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCS(C)(=O)=O
InChIInChI=1S/C11H16ClN3O2S/c1-7-9(12)14-11(8-3-4-8)15-10(7)13-5-6-18(2,16)17/h8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyVCWUNWAOPZHHEA-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.77
Rot. Bonds5

About 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (PubChem CID 80971290) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
PubChem CID80971290
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCS(C)(=O)=O
InChIInChI=1S/C11H16ClN3O2S/c1-7-9(12)14-11(8-3-4-8)15-10(7)13-5-6-18(2,16)17/h8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyVCWUNWAOPZHHEA-UHFFFAOYSA-N
XLogP1.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (CID 80971290) is 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCCS(C)(=O)=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is VCWUNWAOPZHHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-7-9(12)14-11(8-3-4-8)15-10(7)13-5-6-18(2,16)17/h8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80971290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).