8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine

C22H23F2N3O2 — CID 123495959

IUPAC8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
SMILESCN1CCCN2CN=C(OCCc3ccc(Oc4ccc(F)c(F)c4)cc3)C=C12
InChIInChI=1S/C22H23F2N3O2/c1-26-10-2-11-27-15-25-21(14-22(26)27)28-12-9-16-3-5-17(6-4-16)29-18-7-8-19(23)20(24)13-18/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyBYUASFFTLYBRFW-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.16
Rot. Bonds5

About 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine

8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine (PubChem CID 123495959) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
PubChem CID123495959
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
SMILESCN1CCCN2CN=C(OCCc3ccc(Oc4ccc(F)c(F)c4)cc3)C=C12
InChIInChI=1S/C22H23F2N3O2/c1-26-10-2-11-27-15-25-21(14-22(26)27)28-12-9-16-3-5-17(6-4-16)29-18-7-8-19(23)20(24)13-18/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyBYUASFFTLYBRFW-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine with MolForge

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Related Compounds

1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141426757
8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141409299
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665
(2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141407430
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine
CID 141409366
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 171388740
[4-[2-(3,4-dichlorophenyl)ethoxy]-2-fluorophenyl]-dimethylborane
CID 58430006
4-[2-[4-(3,4-difluorophenoxy)-3-fluorophenyl]ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
CID 67960094
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 172661402
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The IUPAC name of 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine (CID 123495959) is 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine.
What is the SMILES notation for 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The canonical SMILES for 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine is CN1CCCN2CN=C(OCCc3ccc(Oc4ccc(F)c(F)c4)cc3)C=C12.
What is the InChIKey of 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The InChIKey is BYUASFFTLYBRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-26-10-2-11-27-15-25-21(14-22(26)27)28-12-9-16-3-5-17(6-4-16)29-18-7-8-19(23)20(24)13-18/h3-8,13-14H,2,9-12,15H2,1H3.
What are the key properties of 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine has a molecular weight of 399.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine is sourced from PubChem (CID 123495959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).