N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide

C12H21ClN4O2S — CID 106341464

IUPACN-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCCc1nc(Cl)c(C)c(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C12H21ClN4O2S/c1-4-6-10-16-11(13)9(2)12(17-10)14-7-5-8-15-20(3,18)19/h15H,4-8H2,1-3H3,(H,14,16,17)
InChIKeyZAJHGJMMAVUOHF-UHFFFAOYSA-N
MW320.85 g/mol
LogP1.74
Rot. Bonds8

About N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide

N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 106341464) has the molecular formula C12H21ClN4O2S and a molecular weight of 320.85 g/mol. Its IUPAC name is N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID106341464
Molecular FormulaC12H21ClN4O2S
Molecular Weight320.85 g/mol
Exact Mass320.11
IUPAC NameN-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCCc1nc(Cl)c(C)c(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C12H21ClN4O2S/c1-4-6-10-16-11(13)9(2)12(17-10)14-7-5-8-15-20(3,18)19/h15H,4-8H2,1-3H3,(H,14,16,17)
InChIKeyZAJHGJMMAVUOHF-UHFFFAOYSA-N
XLogP1.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80972477
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993418
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
N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide
CID 106332346
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
CID 106197257
6-chloro-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80971966
6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
CID 106405598
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 106341464) is N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide is CCCc1nc(Cl)c(C)c(NCCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is ZAJHGJMMAVUOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2S/c1-4-6-10-16-11(13)9(2)12(17-10)14-7-5-8-15-20(3,18)19/h15H,4-8H2,1-3H3,(H,14,16,17).
What are the key properties of N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 320.85 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106341464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).