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

C14H15ClFN3S — CID 103291569

IUPAC4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SCc2ccccc2Cl)n1
InChIInChI=1S/C14H15ClFN3S/c1-2-7-17-14-18-8-12(16)13(19-14)20-9-10-5-3-4-6-11(10)15/h3-6,8H,2,7,9H2,1H3,(H,17,18,19)
InChIKeyLHQBCVDDZLIHGV-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.38
Rot. Bonds6

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

4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 103291569) has the molecular formula C14H15ClFN3S and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID103291569
Molecular FormulaC14H15ClFN3S
Molecular Weight311.81 g/mol
Exact Mass311.07
IUPAC Name4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SCc2ccccc2Cl)n1
InChIInChI=1S/C14H15ClFN3S/c1-2-7-17-14-18-8-12(16)13(19-14)20-9-10-5-3-4-6-11(10)15/h3-6,8H,2,7,9H2,1H3,(H,17,18,19)
InChIKeyLHQBCVDDZLIHGV-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 80889743
5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80884181
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539
5-bromo-4-[(4-chlorophenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 114793039
5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765489
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
5-fluoro-4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777771
4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80794797
N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 103290770
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine (CID 103291569) is 4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(SCc2ccccc2Cl)n1.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is LHQBCVDDZLIHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3S/c1-2-7-17-14-18-8-12(16)13(19-14)20-9-10-5-3-4-6-11(10)15/h3-6,8H,2,7,9H2,1H3,(H,17,18,19).
What are the key properties of 4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine?
4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 311.81 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 103291569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).