6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine

C16H20FN3S — CID 80963405

IUPAC6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ccccc2F)nc(C(C)C)n1
InChIInChI=1S/C16H20FN3S/c1-4-9-18-14-10-15(20-16(19-14)11(2)3)21-13-8-6-5-7-12(13)17/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyLYKNBJGAAUVKIY-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.71
Rot. Bonds6

About 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80963405) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80963405
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ccccc2F)nc(C(C)C)n1
InChIInChI=1S/C16H20FN3S/c1-4-9-18-14-10-15(20-16(19-14)11(2)3)21-13-8-6-5-7-12(13)17/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyLYKNBJGAAUVKIY-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772749
6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948247
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964593
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 80954051

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80963405) is 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2ccccc2F)nc(C(C)C)n1.
What is the InChIKey of 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is LYKNBJGAAUVKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-4-9-18-14-10-15(20-16(19-14)11(2)3)21-13-8-6-5-7-12(13)17/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 305.42 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80963405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).