6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine

C15H18FN3S — CID 80882760

IUPAC6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Sc2ccc(F)cc2)c1C
InChIInChI=1S/C15H18FN3S/c1-4-9-17-14-10(2)15(19-11(3)18-14)20-13-7-5-12(16)6-8-13/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyUWBQHICTDLOPPX-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.21
Rot. Bonds5

About 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine

6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 80882760) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID80882760
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Sc2ccc(F)cc2)c1C
InChIInChI=1S/C15H18FN3S/c1-4-9-17-14-10(2)15(19-11(3)18-14)20-13-7-5-12(16)6-8-13/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyUWBQHICTDLOPPX-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
CID 80890051
6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80890159
6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80889840
[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80925558
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523
2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 107647170
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80989965
6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 80882760) is 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(Sc2ccc(F)cc2)c1C.
What is the InChIKey of 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is UWBQHICTDLOPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-4-9-17-14-10(2)15(19-11(3)18-14)20-13-7-5-12(16)6-8-13/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 291.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80882760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).