N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide

C11H21N5O2S — CID 106332352

IUPACN-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
SMILESCCCNc1nccc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H21N5O2S/c1-3-6-13-11-14-9-5-10(16-11)12-7-4-8-15-19(2,17)18/h5,9,15H,3-4,6-8H2,1-2H3,(H2,12,13,14,16)
InChIKeyFJMPMYHHXCSHAA-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.65
Rot. Bonds9

About N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide

N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide (PubChem CID 106332352) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
PubChem CID106332352
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
SMILESCCCNc1nccc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H21N5O2S/c1-3-6-13-11-14-9-5-10(16-11)12-7-4-8-15-19(2,17)18/h5,9,15H,3-4,6-8H2,1-2H3,(H2,12,13,14,16)
InChIKeyFJMPMYHHXCSHAA-UHFFFAOYSA-N
XLogP0.65
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.65
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

4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carboxylic acid
CID 106342754
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carbothioamide
CID 106339028
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80813999
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036
4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 64831444

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide (CID 106332352) is N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide is CCCNc1nccc(NCCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
The InChIKey is FJMPMYHHXCSHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-3-6-13-11-14-9-5-10(16-11)12-7-4-8-15-19(2,17)18/h5,9,15H,3-4,6-8H2,1-2H3,(H2,12,13,14,16).
What are the key properties of N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.65, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).