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

C13H23N5O2S — CID 106343157

IUPAC2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCCCNc1cc(NCCS(=O)(=O)NC)nc(C2CC2)n1
InChIInChI=1S/C13H23N5O2S/c1-3-6-15-11-9-12(16-7-8-21(19,20)14-2)18-13(17-11)10-4-5-10/h9-10,14H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyWTWXCJXDARIWCR-UHFFFAOYSA-N
MW313.43 g/mol
LogP1.14
Rot. Bonds9

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

2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (PubChem CID 106343157) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
PubChem CID106343157
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCCCNc1cc(NCCS(=O)(=O)NC)nc(C2CC2)n1
InChIInChI=1S/C13H23N5O2S/c1-3-6-15-11-9-12(16-7-8-21(19,20)14-2)18-13(17-11)10-4-5-10/h9-10,14H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyWTWXCJXDARIWCR-UHFFFAOYSA-N
XLogP1.14
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
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-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (CID 106343157) is 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is CCCNc1cc(NCCS(=O)(=O)NC)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The InChIKey is WTWXCJXDARIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-3-6-15-11-9-12(16-7-8-21(19,20)14-2)18-13(17-11)10-4-5-10/h9-10,14H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide has a molecular weight of 313.43 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106343157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).