dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one

C33H31Cl2F3N6O5 — CID 123495274

About dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one

dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one (PubChem CID 123495274) has the molecular formula C33H31Cl2F3N6O5 and a molecular weight of 719.55 g/mol. Its IUPAC name is dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
• PubChem CID: 123495274
• Molecular Formula: C33H31Cl2F3N6O5
• Molecular Weight: 719.55 g/mol
• Exact Mass: 718.17
• IUPAC Name: dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
• SMILES: COc1cc(C)c(CN2Cc3c(ncnc3C(=O)C[C@H](C)c3cc(C4=Nc5ccc(C(F)(F)F)cc5C4)no3)NC2=O)c(OC)c1.ClCCl
• InChI: InChI=1S/C32H29F3N6O5.CH2Cl2/c1-16-7-20(44-3)11-28(45-4)21(16)13-41-14-22-29(36-15-37-30(22)39-31(41)43)26(42)8-17(2)27-12-25(40-46-27)24-10-18-9-19(32(33,34)35)5-6-23(18)38-24;2-1-3/h5-7,9,11-12,15,17H,8,10,13-14H2,1-4H3,(H,36,37,39,43);1H2/t17-;/m0./s1
• InChIKey: FDCYFWBMDXZAJQ-LMOVPXPDSA-N
• XLogP: 7.83
• TPSA: 132.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.55
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one?

The IUPAC name of dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one (CID 123495274) is dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one.

What is the SMILES notation for dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one?

The canonical SMILES for dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one is COc1cc(C)c(CN2Cc3c(ncnc3C(=O)C[C@H](C)c3cc(C4=Nc5ccc(C(F)(F)F)cc5C4)no3)NC2=O)c(OC)c1.ClCCl.

What is the InChIKey of dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one?

The InChIKey is FDCYFWBMDXZAJQ-LMOVPXPDSA-N. The full InChI is InChI=1S/C32H29F3N6O5.CH2Cl2/c1-16-7-20(44-3)11-28(45-4)21(16)13-41-14-22-29(36-15-37-30(22)39-31(41)43)26(42)8-17(2)27-12-25(40-46-27)24-10-18-9-19(32(33,34)35)5-6-23(18)38-24;2-1-3/h5-7,9,11-12,15,17H,8,10,13-14H2,1-4H3,(H,36,37,39,43);1H2/t17-;/m0./s1.

What are the key properties of dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one?

dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 719.55 g/mol, XLogP of 7.83, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 123495274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).