2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C8H10FN3O — CID 141286922

IUPAC2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CF)nc2n1CCCN2
InChIInChI=1S/C8H10FN3O/c9-5-6-4-7(13)12-3-1-2-10-8(12)11-6/h4H,1-3,5H2,(H,10,11)
InChIKeyMTVBHZHUHNGUKV-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.53
Rot. Bonds1

About 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 141286922) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID141286922
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CF)nc2n1CCCN2
InChIInChI=1S/C8H10FN3O/c9-5-6-4-7(13)12-3-1-2-10-8(12)11-6/h4H,1-3,5H2,(H,10,11)
InChIKeyMTVBHZHUHNGUKV-UHFFFAOYSA-N
XLogP0.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 141286922) is 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is O=c1cc(CF)nc2n1CCCN2.
What is the InChIKey of 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is MTVBHZHUHNGUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-5-6-4-7(13)12-3-1-2-10-8(12)11-6/h4H,1-3,5H2,(H,10,11).
What are the key properties of 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 183.19 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141286922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).