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

C7H10FN3O2 — CID 80551006

IUPAC2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(N)Cc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C7H10FN3O2/c1-3(9)2-4-10-6(12)5(8)7(13)11-4/h3H,2,9H2,1H3,(H2,10,11,12,13)
InChIKeyQLFSZZRBOQRAOL-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.50
Rot. Bonds2

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

2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80551006) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80551006
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(N)Cc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C7H10FN3O2/c1-3(9)2-4-10-6(12)5(8)7(13)11-4/h3H,2,9H2,1H3,(H2,10,11,12,13)
InChIKeyQLFSZZRBOQRAOL-UHFFFAOYSA-N
XLogP-0.50
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dihydroxy-2-ethyl-5-fluoropyrimidine
CID 55275470
2-(3-Aminopropyl)pyrimidine-4,6-diol
CID 63554638
2-(1-Aminoethyl)-5-fluoropyrimidine-4,6-diol
CID 80550489
2-(1-aminopropan-2-yl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550491
2-(2-Aminoethyl)-5-fluoro-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 80550515
2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550517
2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550600
2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550665
2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550694
2-(1-amino-2-methylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550723
2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550749
5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 80550892

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80551006) is 2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is CC(N)Cc1nc(O)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QLFSZZRBOQRAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-3(9)2-4-10-6(12)5(8)7(13)11-4/h3H,2,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 187.17 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80551006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).