2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide

C10H19N5O2S — CID 80787489

IUPAC2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCCNc1cc(NCCS(N)(=O)=O)nc(C)n1
InChIInChI=1S/C10H19N5O2S/c1-3-4-12-9-7-10(15-8(2)14-9)13-5-6-18(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyXUEUYQZNFNGOKX-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.31
Rot. Bonds7

About 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide

2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 80787489) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID80787489
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCCNc1cc(NCCS(N)(=O)=O)nc(C)n1
InChIInChI=1S/C10H19N5O2S/c1-3-4-12-9-7-10(15-8(2)14-9)13-5-6-18(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyXUEUYQZNFNGOKX-UHFFFAOYSA-N
XLogP0.31
TPSA110.00 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 ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80903168
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434022
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide (CID 80787489) is 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide is CCCNc1cc(NCCS(N)(=O)=O)nc(C)n1.
What is the InChIKey of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is XUEUYQZNFNGOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-3-4-12-9-7-10(15-8(2)14-9)13-5-6-18(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H2,12,13,14,15).
What are the key properties of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 80787489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).