N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide

C12H22N4O2S — CID 55257706

IUPACN-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCCCc1cc(NCC(C)(C)NS(C)(=O)=O)ncn1
InChIInChI=1S/C12H22N4O2S/c1-5-6-10-7-11(15-9-14-10)13-8-12(2,3)16-19(4,17)18/h7,9,16H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyCOIXZPHWGASOHT-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.17
Rot. Bonds7

About N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide (PubChem CID 55257706) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
PubChem CID55257706
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCCCc1cc(NCC(C)(C)NS(C)(=O)=O)ncn1
InChIInChI=1S/C12H22N4O2S/c1-5-6-10-7-11(15-9-14-10)13-8-12(2,3)16-19(4,17)18/h7,9,16H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyCOIXZPHWGASOHT-UHFFFAOYSA-N
XLogP1.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 104762532
3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106144540
N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80907618
N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80944898
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol
CID 114155486
6-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79363066
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185
N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 83269054
N-propyl-2-[(6-propylpyrimidin-4-yl)amino]acetamide
CID 61240529

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide (CID 55257706) is N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide is CCCc1cc(NCC(C)(C)NS(C)(=O)=O)ncn1.
What is the InChIKey of N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is COIXZPHWGASOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-6-10-7-11(15-9-14-10)13-8-12(2,3)16-19(4,17)18/h7,9,16H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 55257706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).