2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one

C14H16FN3OS — CID 136730622

IUPAC2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2c(F)cccc2CC(C)N)n1
InChIInChI=1S/C14H16FN3OS/c1-8(16)6-10-4-3-5-11(15)13(10)20-14-17-9(2)7-12(19)18-14/h3-5,7-8H,6,16H2,1-2H3,(H,17,18,19)
InChIKeyYOHCJHXTCCHLAP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.26
Rot. Bonds4

About 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one

2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136730622) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136730622
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2c(F)cccc2CC(C)N)n1
InChIInChI=1S/C14H16FN3OS/c1-8(16)6-10-4-3-5-11(15)13(10)20-14-17-9(2)7-12(19)18-14/h3-5,7-8H,6,16H2,1-2H3,(H,17,18,19)
InChIKeyYOHCJHXTCCHLAP-UHFFFAOYSA-N
XLogP2.26
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 136730622) is 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Sc2c(F)cccc2CC(C)N)n1.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YOHCJHXTCCHLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-8(16)6-10-4-3-5-11(15)13(10)20-14-17-9(2)7-12(19)18-14/h3-5,7-8H,6,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 293.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).