8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

C24H23ClFN3O3 — CID 118982967

IUPAC8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCc1cc(Oc2ccc(COc3cc4n(c(=O)n3)CCCN4C3CC3)cc2F)ccc1Cl
InChIInChI=1S/C24H23ClFN3O3/c1-15-11-18(6-7-19(15)25)32-21-8-3-16(12-20(21)26)14-31-22-13-23-28(17-4-5-17)9-2-10-29(23)24(30)27-22/h3,6-8,11-13,17H,2,4-5,9-10,14H2,1H3
InChIKeyPIVBWSNGUYFWDT-UHFFFAOYSA-N
MW455.92 g/mol
LogP5.09
Rot. Bonds6

About 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 118982967) has the molecular formula C24H23ClFN3O3 and a molecular weight of 455.92 g/mol. Its IUPAC name is 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID118982967
Molecular FormulaC24H23ClFN3O3
Molecular Weight455.92 g/mol
Exact Mass455.14
IUPAC Name8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCc1cc(Oc2ccc(COc3cc4n(c(=O)n3)CCCN4C3CC3)cc2F)ccc1Cl
InChIInChI=1S/C24H23ClFN3O3/c1-15-11-18(6-7-19(15)25)32-21-8-3-16(12-20(21)26)14-31-22-13-23-28(17-4-5-17)9-2-10-29(23)24(30)27-22/h3,6-8,11-13,17H,2,4-5,9-10,14H2,1H3
InChIKeyPIVBWSNGUYFWDT-UHFFFAOYSA-N
XLogP5.09
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.92
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[4-(3-chloro-4-fluorophenoxy)-3-fluorophenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 71236617
8-[[4-(3,5-difluorophenoxy)-3-fluorophenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 71236587
7-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 71240969
8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 71236672
2-(3-fluorophenoxy)-5-[[(6S)-9-oxo-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-11-yl]oxymethyl]benzonitrile
CID 130227752
3-[2-fluoro-4-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]phenoxy]benzonitrile
CID 71243770
7-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methoxy]-1,2-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 90302120
(2R)-8-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 77105028
2-(4-cyano-3-fluorophenoxy)-5-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]benzonitrile
CID 71495314
4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-1-ethyl-6-methylpyrimidin-2-one
CID 134166720
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1,5,7-triazatricyclo[7.4.0.02,7]trideca-2,4-dien-6-one
CID 130226951
11-[[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 118686160

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 118982967) is 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is Cc1cc(Oc2ccc(COc3cc4n(c(=O)n3)CCCN4C3CC3)cc2F)ccc1Cl.
What is the InChIKey of 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is PIVBWSNGUYFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3/c1-15-11-18(6-7-19(15)25)32-21-8-3-16(12-20(21)26)14-31-22-13-23-28(17-4-5-17)9-2-10-29(23)24(30)27-22/h3,6-8,11-13,17H,2,4-5,9-10,14H2,1H3.
What are the key properties of 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 455.92 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 118982967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).