2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide

C10H18FN5O2S — CID 106343245

IUPAC2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCCCNc1ncc(F)c(NCCS(=O)(=O)NC)n1
InChIInChI=1S/C10H18FN5O2S/c1-3-4-14-10-15-7-8(11)9(16-10)13-5-6-19(17,18)12-2/h7,12H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyVIUXRBXSPPKQAR-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.40
Rot. Bonds8

About 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide

2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (PubChem CID 106343245) has the molecular formula C10H18FN5O2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
PubChem CID106343245
Molecular FormulaC10H18FN5O2S
Molecular Weight291.35 g/mol
Exact Mass291.12
IUPAC Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCCCNc1ncc(F)c(NCCS(=O)(=O)NC)n1
InChIInChI=1S/C10H18FN5O2S/c1-3-4-14-10-15-7-8(11)9(16-10)13-5-6-19(17,18)12-2/h7,12H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyVIUXRBXSPPKQAR-UHFFFAOYSA-N
XLogP0.40
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (CID 106343245) is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is CCCNc1ncc(F)c(NCCS(=O)(=O)NC)n1.
What is the InChIKey of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The InChIKey is VIUXRBXSPPKQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5O2S/c1-3-4-14-10-15-7-8(11)9(16-10)13-5-6-19(17,18)12-2/h7,12H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide has a molecular weight of 291.35 g/mol, XLogP of 0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106343245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).