5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine

C12H20FN5O2S — CID 164853161

IUPAC5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1ncc(F)c(NC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H20FN5O2S/c1-17(2)12-14-8-10(13)11(16-12)15-9-4-6-18(7-5-9)21(3,19)20/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBCHXPNFTHWCGOL-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.52
Rot. Bonds4

About 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine

5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 164853161) has the molecular formula C12H20FN5O2S and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID164853161
Molecular FormulaC12H20FN5O2S
Molecular Weight317.39 g/mol
Exact Mass317.13
IUPAC Name5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1ncc(F)c(NC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H20FN5O2S/c1-17(2)12-14-8-10(13)11(16-12)15-9-4-6-18(7-5-9)21(3,19)20/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBCHXPNFTHWCGOL-UHFFFAOYSA-N
XLogP0.52
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 50960313
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 71978146
N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
CID 75379307
N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 110259041
N-{1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-3-piperidyl}methanesulfonamide
CID 53185808
1-(5-Fluoro-2-(methylthio)pyrimidin-4-yl)piperidin-4-amine
CID 129853729
N-{1-[6-(dimethylamino)-4-pyrimidinyl]-3-piperidyl}methanesulfonamide
CID 53185788
N-(4-(dimethylamino)-2-(piperidin-1-yl)pyrimidin-5-yl)butane-1-sulfonamide
CID 76148106
N-{2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}-N-methylmethanesulfonamide
CID 50962616
5-bromo-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 53624199
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 94210816

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 164853161) is 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine is CN(C)c1ncc(F)c(NC2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is BCHXPNFTHWCGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5O2S/c1-17(2)12-14-8-10(13)11(16-12)15-9-4-6-18(7-5-9)21(3,19)20/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine?
5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 317.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,2-N-dimethyl-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 164853161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).