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

C10H16FN5O2S — CID 80830868

IUPAC5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H16FN5O2S/c1-12-10-13-7-8(11)9(14-10)15-3-5-16(6-4-15)19(2,17)18/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyDNHXQVFCVVIACA-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.26
Rot. Bonds3

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

5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 80830868) has the molecular formula C10H16FN5O2S and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID80830868
Molecular FormulaC10H16FN5O2S
Molecular Weight289.34 g/mol
Exact Mass289.10
IUPAC Name5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H16FN5O2S/c1-12-10-13-7-8(11)9(14-10)15-3-5-16(6-4-15)19(2,17)18/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyDNHXQVFCVVIACA-UHFFFAOYSA-N
XLogP-0.26
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
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
2-methyl-4-[N,N-dimethylsulfamoyl-piperazino]-pyrimidine
CID 19883994
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
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
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
2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 131943269

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine (CID 80830868) is 5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine is CNc1ncc(F)c(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is DNHXQVFCVVIACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O2S/c1-12-10-13-7-8(11)9(14-10)15-3-5-16(6-4-15)19(2,17)18/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 289.34 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80830868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).