2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C13H14FN3O2 — CID 79438864

IUPAC2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCCc1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C13H14FN3O2/c14-9-5-2-1-4-8(9)11-12(18)16-10(6-3-7-15)17-13(11)19/h1-2,4-5H,3,6-7,15H2,(H2,16,17,18,19)
InChIKeyVMPVBYBMVIBQFD-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.17
Rot. Bonds4

About 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79438864) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79438864
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCCc1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C13H14FN3O2/c14-9-5-2-1-4-8(9)11-12(18)16-10(6-3-7-15)17-13(11)19/h1-2,4-5H,3,6-7,15H2,(H2,16,17,18,19)
InChIKeyVMPVBYBMVIBQFD-UHFFFAOYSA-N
XLogP1.17
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79438864) is 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is NCCCc1nc(O)c(-c2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is VMPVBYBMVIBQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-9-5-2-1-4-8(9)11-12(18)16-10(6-3-7-15)17-13(11)19/h1-2,4-5H,3,6-7,15H2,(H2,16,17,18,19).
What are the key properties of 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 263.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79438864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).