8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

C24H23F3N6O — CID 10139952

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(N2CCN(C)CC2)nc2c1CNC(=O)N2c1c(F)cccc1F
InChIInChI=1S/C24H23F3N6O/c1-14-12-15(25)6-7-16(14)20-17-13-28-24(34)33(21-18(26)4-3-5-19(21)27)22(17)30-23(29-20)32-10-8-31(2)9-11-32/h3-7,12H,8-11,13H2,1-2H3,(H,28,34)
InChIKeySJDADHVFQGGIIK-UHFFFAOYSA-N
MW468.48 g/mol
LogP3.98
Rot. Bonds3

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one (PubChem CID 10139952) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
PubChem CID10139952
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(N2CCN(C)CC2)nc2c1CNC(=O)N2c1c(F)cccc1F
InChIInChI=1S/C24H23F3N6O/c1-14-12-15(25)6-7-16(14)20-17-13-28-24(34)33(21-18(26)4-3-5-19(21)27)22(17)30-23(29-20)32-10-8-31(2)9-11-32/h3-7,12H,8-11,13H2,1-2H3,(H,28,34)
InChIKeySJDADHVFQGGIIK-UHFFFAOYSA-N
XLogP3.98
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-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-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one (CID 10139952) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(N2CCN(C)CC2)nc2c1CNC(=O)N2c1c(F)cccc1F.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is SJDADHVFQGGIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-14-12-15(25)6-7-16(14)20-17-13-28-24(34)33(21-18(26)4-3-5-19(21)27)22(17)30-23(29-20)32-10-8-31(2)9-11-32/h3-7,12H,8-11,13H2,1-2H3,(H,28,34).
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 468.48 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 10139952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).