3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C7H8FN3O2 — CID 137196097

IUPAC3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1c(F)c(O)nc2n1CCCN2
InChIInChI=1S/C7H8FN3O2/c8-4-5(12)10-7-9-2-1-3-11(7)6(4)13/h12H,1-3H2,(H,9,10)
InChIKeyQRGOJZMTDAERBV-UHFFFAOYSA-N
MW185.16 g/mol
LogP-0.10
Rot. Bonds

About 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 137196097) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID137196097
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1c(F)c(O)nc2n1CCCN2
InChIInChI=1S/C7H8FN3O2/c8-4-5(12)10-7-9-2-1-3-11(7)6(4)13/h12H,1-3H2,(H,9,10)
InChIKeyQRGOJZMTDAERBV-UHFFFAOYSA-N
XLogP-0.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-7,7-dimethyl-1H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidin-4-one
CID 136344293
8-hydroxy-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one
CID 135743677
(8R)-2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136359091
(8S)-2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136359092
3-Fluoro-2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136465062
2,3,6,7,8-Pentafluoro-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136471280
(8S)-3-fluoro-2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136485533
(8R)-3-fluoro-2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136485534
2-hydroxy-3-fluoro-8,8-dimethyl-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136931778
(R)-8-hydroxy-7-fluoro-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one
CID 136931780
3-Fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136931781
(R)-8-hydroxy-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one
CID 136931782

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 137196097) is 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is O=c1c(F)c(O)nc2n1CCCN2.
What is the InChIKey of 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is QRGOJZMTDAERBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c8-4-5(12)10-7-9-2-1-3-11(7)6(4)13/h12H,1-3H2,(H,9,10).
What are the key properties of 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 185.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137196097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).