3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine

C13H13FN4 — CID 136923954

IUPAC3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine
SMILES[H]/N=c1/c(-c2ccccc2F)cnc2n1CCCN2
InChIInChI=1S/C13H13FN4/c14-11-5-2-1-4-9(11)10-8-17-13-16-6-3-7-18(13)12(10)15/h1-2,4-5,8,15H,3,6-7H2,(H,16,17)/b15-12-
InChIKeyIOHZIUZRYIVGLJ-QINSGFPZSA-N
MW244.27 g/mol
LogP1.98
Rot. Bonds1

About 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine

3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine (PubChem CID 136923954) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine
PubChem CID136923954
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine
SMILES[H]/N=c1/c(-c2ccccc2F)cnc2n1CCCN2
InChIInChI=1S/C13H13FN4/c14-11-5-2-1-4-9(11)10-8-17-13-16-6-3-7-18(13)12(10)15/h1-2,4-5,8,15H,3,6-7H2,(H,16,17)/b15-12-
InChIKeyIOHZIUZRYIVGLJ-QINSGFPZSA-N
XLogP1.98
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine
CID 136923931
4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine
CID 132537697
2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine
CID 137123533
2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 136995657
3-(2-fluorophenyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium
CID 136719718
1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1,4-diazepane
CID 103279650
4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 95730730
3-(2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
CID 84647313
2-amino-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 117260759
N-(2-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine
CID 135438583
2-chloro-3-(2-fluorophenyl)pyridine
CID 46312040
1-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 82301704

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine?
The IUPAC name of 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine (CID 136923954) is 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine.
What is the SMILES notation for 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine?
The canonical SMILES for 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine is [H]/N=c1/c(-c2ccccc2F)cnc2n1CCCN2.
What is the InChIKey of 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine?
The InChIKey is IOHZIUZRYIVGLJ-QINSGFPZSA-N. The full InChI is InChI=1S/C13H13FN4/c14-11-5-2-1-4-9(11)10-8-17-13-16-6-3-7-18(13)12(10)15/h1-2,4-5,8,15H,3,6-7H2,(H,16,17)/b15-12-.
What are the key properties of 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine?
3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine has a molecular weight of 244.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine is sourced from PubChem (CID 136923954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).