5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine

C9H14FN5O2S — CID 80830936

IUPAC5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C9H14FN5O2S/c1-18(16,17)15-4-2-14(3-5-15)8-7(10)6-12-9(11)13-8/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyQBZPCUMEIGCRKW-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.72
Rot. Bonds2

About 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine

5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 80830936) has the molecular formula C9H14FN5O2S and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID80830936
Molecular FormulaC9H14FN5O2S
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C9H14FN5O2S/c1-18(16,17)15-4-2-14(3-5-15)8-7(10)6-12-9(11)13-8/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyQBZPCUMEIGCRKW-UHFFFAOYSA-N
XLogP-0.72
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
2-[4-(Methylsulfonyl)-1-piperazinyl]pyrimidine
CID 841759
5-Bromo-2-chloro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 79072608
5-Bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 134157397
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703168
N-(2-{[4-(Dimethylamino)-5-methylpyrimidin-2-YL]amino}ethyl)-N-methylmethanesulfonamide
CID 50949787
N-{2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}-N-methylmethanesulfonamide
CID 50962616
N-{[4-(dimethylamino)pyrimidin-2-yl]methyl}methanesulfonamide
CID 73168019
5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine
CID 84596788
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 97130364
N~2~-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-fluoro-N~4~-methylpyrimidine-2,4-diamine
CID 122561097
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine (CID 80830936) is 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine is CS(=O)(=O)N1CCN(c2nc(N)ncc2F)CC1.
What is the InChIKey of 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is QBZPCUMEIGCRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5O2S/c1-18(16,17)15-4-2-14(3-5-15)8-7(10)6-12-9(11)13-8/h6H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 275.31 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80830936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).