1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione

C15H12FN3O2 — CID 56613865

IUPAC1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione
SMILESCc1ccc(-n2c(=O)cc(F)n3c(=O)ccnc23)cc1C
InChIInChI=1S/C15H12FN3O2/c1-9-3-4-11(7-10(9)2)18-14(21)8-12(16)19-13(20)5-6-17-15(18)19/h3-8H,1-2H3
InChIKeyYRCXVKMWHVGLQK-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.60
Rot. Bonds1

About 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione

1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione (PubChem CID 56613865) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione
PubChem CID56613865
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione
SMILESCc1ccc(-n2c(=O)cc(F)n3c(=O)ccnc23)cc1C
InChIInChI=1S/C15H12FN3O2/c1-9-3-4-11(7-10(9)2)18-14(21)8-12(16)19-13(20)5-6-17-15(18)19/h3-8H,1-2H3
InChIKeyYRCXVKMWHVGLQK-UHFFFAOYSA-N
XLogP1.60
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione (CID 56613865) is 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione is Cc1ccc(-n2c(=O)cc(F)n3c(=O)ccnc23)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione?
The InChIKey is YRCXVKMWHVGLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-9-3-4-11(7-10(9)2)18-14(21)8-12(16)19-13(20)5-6-17-15(18)19/h3-8H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione?
1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione has a molecular weight of 285.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,6-dione is sourced from PubChem (CID 56613865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).