6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

C20H21FN6O2S — CID 122349223

IUPAC6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C20H21FN6O2S/c21-17-5-3-4-16(12-17)14-30(28,29)27-10-8-26(9-11-27)20-13-19(23-15-24-20)25-18-6-1-2-7-22-18/h1-7,12-13,15H,8-11,14H2,(H,22,23,24,25)
InChIKeyVTPIAPYKZVVXLR-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.41
Rot. Bonds6

About 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 122349223) has the molecular formula C20H21FN6O2S and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID122349223
Molecular FormulaC20H21FN6O2S
Molecular Weight428.49 g/mol
Exact Mass428.14
IUPAC Name6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C20H21FN6O2S/c21-17-5-3-4-16(12-17)14-30(28,29)27-10-8-26(9-11-27)20-13-19(23-15-24-20)25-18-6-1-2-7-22-18/h1-7,12-13,15H,8-11,14H2,(H,22,23,24,25)
InChIKeyVTPIAPYKZVVXLR-UHFFFAOYSA-N
XLogP2.41
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349232
6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349016
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349017
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349652
6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347534
1-[(3-fluorophenyl)methylsulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 24746587
1-[(3-fluorophenyl)methylsulfonyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 56587215
2-(4-fluorophenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349079
6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349263
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 122349223) is 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is O=S(=O)(Cc1cccc(F)c1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1.
What is the InChIKey of 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is VTPIAPYKZVVXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2S/c21-17-5-3-4-16(12-17)14-30(28,29)27-10-8-26(9-11-27)20-13-19(23-15-24-20)25-18-6-1-2-7-22-18/h1-7,12-13,15H,8-11,14H2,(H,22,23,24,25).
What are the key properties of 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 428.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 122349223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).