4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine

C15H19FN4S — CID 80798517

IUPAC4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)c2ccc(F)cc2)nc(SC)n1
InChIInChI=1S/C15H19FN4S/c1-4-17-13-10-14(19-15(18-13)21-3)20(5-2)12-8-6-11(16)7-9-12/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyRNRWNUMPDXEJSX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.93
Rot. Bonds6

About 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80798517) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80798517
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Name4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)c2ccc(F)cc2)nc(SC)n1
InChIInChI=1S/C15H19FN4S/c1-4-17-13-10-14(19-15(18-13)21-3)20(5-2)12-8-6-11(16)7-9-12/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyRNRWNUMPDXEJSX-UHFFFAOYSA-N
XLogP3.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775647
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80808574
4-N,2-diethyl-4-N-(4-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935117
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
2-[cyanomethyl-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetonitrile
CID 80753887
4-N-ethyl-4-N-(4-fluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954692
N-ethyl-6-hydrazinyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80899281
4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80948063
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 102989125
6-(2,5-difluorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80884881
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 82745901
6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80809346

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80798517) is 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(N(CC)c2ccc(F)cc2)nc(SC)n1.
What is the InChIKey of 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is RNRWNUMPDXEJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-4-17-13-10-14(19-15(18-13)21-3)20(5-2)12-8-6-11(16)7-9-12/h6-10H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 306.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80798517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).