6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine

C9H14ClN3O2S — CID 102582821

IUPAC6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine
SMILESCCN(CC)c1cc(Cl)nc(S(C)(=O)=O)n1
InChIInChI=1S/C9H14ClN3O2S/c1-4-13(5-2)8-6-7(10)11-9(12-8)16(3,14)15/h6H,4-5H2,1-3H3
InChIKeyYMBGXBFWRMWBGO-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.38
Rot. Bonds4

About 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine

6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine (PubChem CID 102582821) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine
PubChem CID102582821
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine
SMILESCCN(CC)c1cc(Cl)nc(S(C)(=O)=O)n1
InChIInChI=1S/C9H14ClN3O2S/c1-4-13(5-2)8-6-7(10)11-9(12-8)16(3,14)15/h6H,4-5H2,1-3H3
InChIKeyYMBGXBFWRMWBGO-UHFFFAOYSA-N
XLogP1.38
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-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-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine (CID 102582821) is 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine is CCN(CC)c1cc(Cl)nc(S(C)(=O)=O)n1.
What is the InChIKey of 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is YMBGXBFWRMWBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-4-13(5-2)8-6-7(10)11-9(12-8)16(3,14)15/h6H,4-5H2,1-3H3.
What are the key properties of 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine?
6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 263.75 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 102582821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).