N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

C18H24FN5O2S — CID 175649458

IUPACN-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ncccc3S(C)(=O)=O)CC2)nc(C)n1
InChIInChI=1S/C18H24FN5O2S/c1-13-11-16(23-14(2)22-13)21-12-18(19)6-9-24(10-7-18)17-15(27(3,25)26)5-4-8-20-17/h4-5,8,11H,6-7,9-10,12H2,1-3H3,(H,21,22,23)
InChIKeyARAHCNNXDJLEGZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.31
Rot. Bonds5

About N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 175649458) has the molecular formula C18H24FN5O2S and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID175649458
Molecular FormulaC18H24FN5O2S
Molecular Weight393.49 g/mol
Exact Mass393.16
IUPAC NameN-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ncccc3S(C)(=O)=O)CC2)nc(C)n1
InChIInChI=1S/C18H24FN5O2S/c1-13-11-16(23-14(2)22-13)21-12-18(19)6-9-24(10-7-18)17-15(27(3,25)26)5-4-8-20-17/h4-5,8,11H,6-7,9-10,12H2,1-3H3,(H,21,22,23)
InChIKeyARAHCNNXDJLEGZ-UHFFFAOYSA-N
XLogP2.31
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 166604813
N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 175649654
N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 175649256
N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 171323725
6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile
CID 166604738
N-ethyl-4-methyl-6-[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]pyrimidin-2-amine
CID 155976090
[4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine
CID 114598405
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919
3,3,3-trideuterio-1-[6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 164832218
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 165433324
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 114599563

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (CID 175649458) is N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCC2(F)CCN(c3ncccc3S(C)(=O)=O)CC2)nc(C)n1.
What is the InChIKey of N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is ARAHCNNXDJLEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2S/c1-13-11-16(23-14(2)22-13)21-12-18(19)6-9-24(10-7-18)17-15(27(3,25)26)5-4-8-20-17/h4-5,8,11H,6-7,9-10,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 393.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 175649458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).