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

C13H13FN4 — CID 136923943

IUPAC2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine
SMILES[H]/N=c1\cc(-c2ccc(F)cc2)nc2n1CCCN2
InChIInChI=1S/C13H13FN4/c14-10-4-2-9(3-5-10)11-8-12(15)18-7-1-6-16-13(18)17-11/h2-5,8,15H,1,6-7H2,(H,16,17)/b15-12+
InChIKeyJUARQLXYFUJPMS-NTCAYCPXSA-N
MW244.27 g/mol
LogP1.98
Rot. Bonds1

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

2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine (PubChem CID 136923943) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine
PubChem CID136923943
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine
SMILES[H]/N=c1\cc(-c2ccc(F)cc2)nc2n1CCCN2
InChIInChI=1S/C13H13FN4/c14-10-4-2-9(3-5-10)11-8-12(15)18-7-1-6-16-13(18)17-11/h2-5,8,15H,1,6-7H2,(H,16,17)/b15-12+
InChIKeyJUARQLXYFUJPMS-NTCAYCPXSA-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
1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine
CID 136923961
7-(4-fluorophenyl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile
CID 118341184
3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136995360
2,6-bis(4-fluorophenyl)pyridine-4-carbonitrile
CID 46313546
3-(2-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine
CID 136923954
3-bromo-2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136995395
3-bromo-2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136995353
2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136995436
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
CID 145146069
4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 95430396
2-propyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136923890

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine?
The IUPAC name of 2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine (CID 136923943) is 2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine?
The canonical SMILES for 2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine is [H]/N=c1\cc(-c2ccc(F)cc2)nc2n1CCCN2.
What is the InChIKey of 2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine?
The InChIKey is JUARQLXYFUJPMS-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H13FN4/c14-10-4-2-9(3-5-10)11-8-12(15)18-7-1-6-16-13(18)17-11/h2-5,8,15H,1,6-7H2,(H,16,17)/b15-12+.
What are the key properties of 2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine?
2-(4-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 2-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-imine is sourced from PubChem (CID 136923943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).