N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide

C11H21N5O2S — CID 106332318

IUPACN-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCC(C)c1nc(N)cc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H21N5O2S/c1-8(2)11-15-9(12)7-10(16-11)13-5-4-6-14-19(3,17)18/h7-8,14H,4-6H2,1-3H3,(H3,12,13,15,16)
InChIKeyZIMXEMMVWKVJAS-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.53
Rot. Bonds7

About N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide

N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 106332318) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID106332318
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCC(C)c1nc(N)cc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H21N5O2S/c1-8(2)11-15-9(12)7-10(16-11)13-5-4-6-14-19(3,17)18/h7-8,14H,4-6H2,1-3H3,(H3,12,13,15,16)
InChIKeyZIMXEMMVWKVJAS-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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

N,N,N-Triisobutyl-pyrimidine-2,4,6-triamine
CID 25128814
2,4-Diisobutylamino-6-chloropyrimidine
CID 44569029
2,4-Diisobutylamino-pyrimidine
CID 44569027
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)butane-1-sulfonamide
CID 45502760
6-(4-Methanesulfonylpiperazin-1-YL)-N,N,2-trimethylpyrimidin-4-amine
CID 50748436
4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 80769805
6-N-ethyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955423
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955544
6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80957003
6-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80957329
6-N-ethyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80957474

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 106332318) is N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide is CC(C)c1nc(N)cc(NCCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is ZIMXEMMVWKVJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-8(2)11-15-9(12)7-10(16-11)13-5-4-6-14-19(3,17)18/h7-8,14H,4-6H2,1-3H3,(H3,12,13,15,16).
What are the key properties of N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).