8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

C23H24FN3O3 — CID 118982965

IUPAC8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCOc1cccc(CN2CCCn3c2cc(OCc2ccc(C)c(F)c2)nc3=O)c1
InChIInChI=1S/C23H24FN3O3/c1-16-7-8-18(12-20(16)24)15-30-21-13-22-26(9-4-10-27(22)23(28)25-21)14-17-5-3-6-19(11-17)29-2/h3,5-8,11-13H,4,9-10,14-15H2,1-2H3
InChIKeyOXXMQSVWQRKLII-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.69
Rot. Bonds6

About 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 118982965) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID118982965
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCOc1cccc(CN2CCCn3c2cc(OCc2ccc(C)c(F)c2)nc3=O)c1
InChIInChI=1S/C23H24FN3O3/c1-16-7-8-18(12-20(16)24)15-30-21-13-22-26(9-4-10-27(22)23(28)25-21)14-17-5-3-6-19(11-17)29-2/h3,5-8,11-13H,4,9-10,14-15H2,1-2H3
InChIKeyOXXMQSVWQRKLII-UHFFFAOYSA-N
XLogP3.69
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 118982965) is 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is COc1cccc(CN2CCCn3c2cc(OCc2ccc(C)c(F)c2)nc3=O)c1.
What is the InChIKey of 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is OXXMQSVWQRKLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-16-7-8-18(12-20(16)24)15-30-21-13-22-26(9-4-10-27(22)23(28)25-21)14-17-5-3-6-19(11-17)29-2/h3,5-8,11-13H,4,9-10,14-15H2,1-2H3.
What are the key properties of 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 409.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 118982965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).