N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide

C10H19N5O2S — CID 106332206

IUPACN-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
SMILESCNc1nc(C)cc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C10H19N5O2S/c1-8-7-9(15-10(11-2)14-8)12-5-4-6-13-18(3,16)17/h7,13H,4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyRDENLSOMYKEEGD-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.18
Rot. Bonds7

About N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide

N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide (PubChem CID 106332206) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
PubChem CID106332206
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
SMILESCNc1nc(C)cc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C10H19N5O2S/c1-8-7-9(15-10(11-2)14-8)12-5-4-6-13-18(3,16)17/h7,13H,4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyRDENLSOMYKEEGD-UHFFFAOYSA-N
XLogP0.18
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.18
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-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114564127
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332284
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea
CID 134297550
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80898571
N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332352
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 113411160
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide (CID 106332206) is N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide is CNc1nc(C)cc(NCCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
The InChIKey is RDENLSOMYKEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8-7-9(15-10(11-2)14-8)12-5-4-6-13-18(3,16)17/h7,13H,4-6H2,1-3H3,(H2,11,12,14,15).
What are the key properties of N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide?
N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).