7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one

C9H12FN3O2 — CID 136931778

IUPAC7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one
SMILESCC1(C)CCn2c(nc(O)c(F)c2=O)N1
InChIInChI=1S/C9H12FN3O2/c1-9(2)3-4-13-7(15)5(10)6(14)11-8(13)12-9/h14H,3-4H2,1-2H3,(H,11,12)
InChIKeyBQTQIPBWWSLIPA-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.68
Rot. Bonds

About 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one

7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one (PubChem CID 136931778) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one
PubChem CID136931778
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one
SMILESCC1(C)CCn2c(nc(O)c(F)c2=O)N1
InChIInChI=1S/C9H12FN3O2/c1-9(2)3-4-13-7(15)5(10)6(14)11-8(13)12-9/h14H,3-4H2,1-2H3,(H,11,12)
InChIKeyBQTQIPBWWSLIPA-UHFFFAOYSA-N
XLogP0.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one (CID 136931778) is 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one is CC1(C)CCn2c(nc(O)c(F)c2=O)N1.
What is the InChIKey of 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is BQTQIPBWWSLIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-9(2)3-4-13-7(15)5(10)6(14)11-8(13)12-9/h14H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one?
7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 213.21 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-hydroxy-2,2-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 136931778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).