N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide

C11H21N5O2S — CID 80993418

IUPACN-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCCCc1nc(N)c(C)c(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H21N5O2S/c1-4-5-9-15-10(12)8(2)11(16-9)13-6-7-14-19(3,17)18/h14H,4-7H2,1-3H3,(H3,12,13,15,16)
InChIKeyMDXSPJBSYWKILI-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.28
Rot. Bonds7

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

N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 80993418) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID80993418
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCCCc1nc(N)c(C)c(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H21N5O2S/c1-4-5-9-15-10(12)8(2)11(16-9)13-6-7-14-19(3,17)18/h14H,4-7H2,1-3H3,(H3,12,13,15,16)
InChIKeyMDXSPJBSYWKILI-UHFFFAOYSA-N
XLogP0.28
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343532
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117399
N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106341464
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
N-[2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993649
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991865

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide (CID 80993418) is N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide is CCCc1nc(N)c(C)c(NCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is MDXSPJBSYWKILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-5-9-15-10(12)8(2)11(16-9)13-6-7-14-19(3,17)18/h14H,4-7H2,1-3H3,(H3,12,13,15,16).
What are the key properties of N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 80993418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).