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

C12H18ClN3O2S — CID 80951605

IUPAC6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
SMILESCC(C)(CNc1cc(Cl)nc(C2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C12H18ClN3O2S/c1-12(2,19(3,17)18)7-14-10-6-9(13)15-11(16-10)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyWORJKKOKWUUYOK-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.24
Rot. Bonds5

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

6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine (PubChem CID 80951605) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
PubChem CID80951605
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
SMILESCC(C)(CNc1cc(Cl)nc(C2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C12H18ClN3O2S/c1-12(2,19(3,17)18)7-14-10-6-9(13)15-11(16-10)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyWORJKKOKWUUYOK-UHFFFAOYSA-N
XLogP2.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.24
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-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine (CID 80951605) is 6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine is CC(C)(CNc1cc(Cl)nc(C2CC2)n1)S(C)(=O)=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine?
The InChIKey is WORJKKOKWUUYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-12(2,19(3,17)18)7-14-10-6-9(13)15-11(16-10)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine has a molecular weight of 303.81 g/mol, XLogP of 2.24, 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-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80951605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).