6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine

C15H17F2N3S — CID 80991285

IUPAC6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H17F2N3S/c1-4-5-13-19-14(18-3)9(2)15(20-13)21-10-6-7-11(16)12(17)8-10/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyIAYFWMSHIZAYGI-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.21
Rot. Bonds5

About 6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine

6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine (PubChem CID 80991285) has the molecular formula C15H17F2N3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
PubChem CID80991285
Molecular FormulaC15H17F2N3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H17F2N3S/c1-4-5-13-19-14(18-3)9(2)15(20-13)21-10-6-7-11(16)12(17)8-10/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyIAYFWMSHIZAYGI-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80990085
N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80991399
[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001570
[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80925558
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80991386
6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991039
4-N-(5-chloro-2-methylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976793
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
6-[(2-chlorophenyl)methylsulfanyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 103291510
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine (CID 80991285) is 6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)c(C)c(Sc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine?
The InChIKey is IAYFWMSHIZAYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3S/c1-4-5-13-19-14(18-3)9(2)15(20-13)21-10-6-7-11(16)12(17)8-10/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine?
6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine has a molecular weight of 309.39 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-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80991285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).