6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine

C12H20ClN3O2S — CID 80977700

IUPAC6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C12H20ClN3O2S/c1-5-6-10-14-11(13)9(2)12(15-10)16(3)7-8-19(4,17)18/h5-8H2,1-4H3
InChIKeyZGNFKVLXSXAQPA-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.87
Rot. Bonds6

About 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine

6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine (PubChem CID 80977700) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine
PubChem CID80977700
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C12H20ClN3O2S/c1-5-6-10-14-11(13)9(2)12(15-10)16(3)7-8-19(4,17)18/h5-8H2,1-4H3
InChIKeyZGNFKVLXSXAQPA-UHFFFAOYSA-N
XLogP1.87
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine (CID 80977700) is 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine?
The InChIKey is ZGNFKVLXSXAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S/c1-5-6-10-14-11(13)9(2)12(15-10)16(3)7-8-19(4,17)18/h5-8H2,1-4H3.
What are the key properties of 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine?
6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine has a molecular weight of 305.83 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80977700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).