6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine

C12H20ClN3O2S — CID 80972477

IUPAC6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C12H20ClN3O2S/c1-4-6-10-15-11(13)9(2)12(16-10)14-7-5-8-19(3,17)18/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyMWGNKDDMJXALIO-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.24
Rot. Bonds7

About 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine

6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine (PubChem CID 80972477) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
PubChem CID80972477
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C12H20ClN3O2S/c1-4-6-10-15-11(13)9(2)12(16-10)14-7-5-8-19(3,17)18/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyMWGNKDDMJXALIO-UHFFFAOYSA-N
XLogP2.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-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

Related Compounds

N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106341464
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80971632
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993418
6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine
CID 80977700
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
CID 106197257
6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
CID 106405598

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine (CID 80972477) is 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCCCS(C)(=O)=O)n1.
What is the InChIKey of 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine?
The InChIKey is MWGNKDDMJXALIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S/c1-4-6-10-15-11(13)9(2)12(16-10)14-7-5-8-19(3,17)18/h4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine?
6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine has a molecular weight of 305.83 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80972477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).