2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide

C12H21N5O2S — CID 106343137

IUPAC2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCCNc1cc(NCCS(=O)(=O)NC)nc(C2CC2)n1
InChIInChI=1S/C12H21N5O2S/c1-3-14-10-8-11(15-6-7-20(18,19)13-2)17-12(16-10)9-4-5-9/h8-9,13H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyZOQUSWYXLMIDSH-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.75
Rot. Bonds8

About 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (PubChem CID 106343137) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
PubChem CID106343137
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCCNc1cc(NCCS(=O)(=O)NC)nc(C2CC2)n1
InChIInChI=1S/C12H21N5O2S/c1-3-14-10-8-11(15-6-7-20(18,19)13-2)17-12(16-10)9-4-5-9/h8-9,13H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyZOQUSWYXLMIDSH-UHFFFAOYSA-N
XLogP0.75
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343157
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114176051
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80960959
2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine
CID 80960820
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 80959483

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (CID 106343137) is 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is CCNc1cc(NCCS(=O)(=O)NC)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The InChIKey is ZOQUSWYXLMIDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-3-14-10-8-11(15-6-7-20(18,19)13-2)17-12(16-10)9-4-5-9/h8-9,13H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106343137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).