4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine

C17H14F2N4O2S — CID 163290536

IUPAC4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1nc(Nc2ccc(F)cc2)cc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H14F2N4O2S/c1-26(24,25)17-22-15(20-13-6-2-11(18)3-7-13)10-16(23-17)21-14-8-4-12(19)5-9-14/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyGSOYKVABHQNMSF-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.65
Rot. Bonds5

About 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine

4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine (PubChem CID 163290536) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
PubChem CID163290536
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1nc(Nc2ccc(F)cc2)cc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H14F2N4O2S/c1-26(24,25)17-22-15(20-13-6-2-11(18)3-7-13)10-16(23-17)21-14-8-4-12(19)5-9-14/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyGSOYKVABHQNMSF-UHFFFAOYSA-N
XLogP3.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-Methyl-2-(phenylamino)pyrimidin-4-yl]phenylamine
CID 673737
N4-(3-chloro-4-fluoro-phenyl)-2-methylsulfonyl-N6-(4-piperidyl)pyrimidine-4,6-diamine
CID 163290502
2-methylsulfonyl-N6-(4-piperidyl)-N4-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 163290512
2-methylsulfonyl-6-piperazin-1-yl-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 163290531
N4-(3-bromo-4-fluoro-phenyl)-2-methylsulfonyl-N6-(4-piperidyl)pyrimidine-4,6-diamine
CID 163290533
N4,N6-bis(3-chloro-4-fluoro-phenyl)-2-methylsulfonyl-pyrimidine-4,6-diamine
CID 163290541
(4-Fluorophenyl)(2-methylthio-6-phenylpyrimidin-4-yl)amine
CID 16014881
4-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine;hydrochloride
CID 164612269
4-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
CID 164612270
4-N-(4-aminocyclohexyl)-6-N-(3-bromo-4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
CID 164613391
4-N-(4-aminocyclohexyl)-2-methylsulfonyl-6-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 164627060
N~4~-(4-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 2766305

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine (CID 163290536) is 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine is CS(=O)(=O)c1nc(Nc2ccc(F)cc2)cc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine?
The InChIKey is GSOYKVABHQNMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c1-26(24,25)17-22-15(20-13-6-2-11(18)3-7-13)10-16(23-17)21-14-8-4-12(19)5-9-14/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine?
4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine has a molecular weight of 376.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine is sourced from PubChem (CID 163290536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).