5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine

C15H18FN3S — CID 80889743

IUPAC5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SCc2ccccc2C)n1
InChIInChI=1S/C15H18FN3S/c1-3-8-17-15-18-9-13(16)14(19-15)20-10-12-7-5-4-6-11(12)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyPLRBYUCGGQCZFN-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.04
Rot. Bonds6

About 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine

5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine (PubChem CID 80889743) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
PubChem CID80889743
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SCc2ccccc2C)n1
InChIInChI=1S/C15H18FN3S/c1-3-8-17-15-18-9-13(16)14(19-15)20-10-12-7-5-4-6-11(12)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyPLRBYUCGGQCZFN-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 103291569
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80784565
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765489
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
5-fluoro-4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777771
5-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895354
4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80794797
4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80864481
5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80884181

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine (CID 80889743) is 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(SCc2ccccc2C)n1.
What is the InChIKey of 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine?
The InChIKey is PLRBYUCGGQCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-3-8-17-15-18-9-13(16)14(19-15)20-10-12-7-5-4-6-11(12)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine?
5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine has a molecular weight of 291.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80889743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).