5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine

C13H13ClFN3S — CID 80884181

IUPAC5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Sc2ccccc2F)n1
InChIInChI=1S/C13H13ClFN3S/c1-2-7-16-13-17-8-9(14)12(18-13)19-11-6-4-3-5-10(11)15/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyQIWQQMGEYVYMEV-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.24
Rot. Bonds5

About 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine

5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine (PubChem CID 80884181) has the molecular formula C13H13ClFN3S and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
PubChem CID80884181
Molecular FormulaC13H13ClFN3S
Molecular Weight297.79 g/mol
Exact Mass297.05
IUPAC Name5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Sc2ccccc2F)n1
InChIInChI=1S/C13H13ClFN3S/c1-2-7-16-13-17-8-9(14)12(18-13)19-11-6-4-3-5-10(11)15/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyQIWQQMGEYVYMEV-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 114001357
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 103291569
5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886409
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765489
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
5-chloro-2-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80831318
5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 80889743
5-chloro-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890456
2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine
CID 102752241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine (CID 80884181) is 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(Sc2ccccc2F)n1.
What is the InChIKey of 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine?
The InChIKey is QIWQQMGEYVYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3S/c1-2-7-16-13-17-8-9(14)12(18-13)19-11-6-4-3-5-10(11)15/h3-6,8H,2,7H2,1H3,(H,16,17,18).
What are the key properties of 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine?
5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine has a molecular weight of 297.79 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80884181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).