2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide

C7H11FN4O2S — CID 102675409

IUPAC2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(F)cn1
InChIInChI=1S/C7H11FN4O2S/c1-9-15(13,14)3-2-10-7-11-4-6(8)5-12-7/h4-5,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyHMIDGOGVVCSLKH-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.42
Rot. Bonds5

About 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide

2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide (PubChem CID 102675409) has the molecular formula C7H11FN4O2S and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
PubChem CID102675409
Molecular FormulaC7H11FN4O2S
Molecular Weight234.26 g/mol
Exact Mass234.06
IUPAC Name2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(F)cn1
InChIInChI=1S/C7H11FN4O2S/c1-9-15(13,14)3-2-10-7-11-4-6(8)5-12-7/h4-5,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyHMIDGOGVVCSLKH-UHFFFAOYSA-N
XLogP-0.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10058550, Example 676.0
CID 122701357
N-ethyl-5-fluoropyrimidin-2-amine
CID 53385549
2-Amino-5-pyrimidinesulfonamide
CID 53420996
2-[(5-Ethylpyrimidin-2-YL)amino]-N,N-dimethylethanesulfonamide
CID 72927155
2-amino-N,N-dimethylpyrimidine-5-sulfonamide
CID 62150682
N-(2-{[4-(Dimethylamino)-5-methylpyrimidin-2-YL]amino}ethyl)-N-methylmethanesulfonamide
CID 50949787
5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 63208027
N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 75496379
5-bromo-4-N-methyl-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 91650182
N-[2-(dimethylamino)pyrimidin-5-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 121536738
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827
N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoropyrimidin-2-amine
CID 164634267

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide (CID 102675409) is 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ncc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide?
The InChIKey is HMIDGOGVVCSLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O2S/c1-9-15(13,14)3-2-10-7-11-4-6(8)5-12-7/h4-5,9H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide?
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide has a molecular weight of 234.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 102675409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).