4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane

C21H28F3N9O2 — CID 153355531

IUPAC4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane
SMILESCCOC.Cc1nc(NCc2cnn(Cc3cc(C(F)(F)F)nn3C)c2)nc2c1NC(=O)CN2C
InChIInChI=1S/C18H20F3N9O.C3H8O/c1-10-15-16(28(2)9-14(31)25-15)26-17(24-10)22-5-11-6-23-30(7-11)8-12-4-13(18(19,20)21)27-29(12)3;1-3-4-2/h4,6-7H,5,8-9H2,1-3H3,(H,25,31)(H,22,24,26);3H2,1-2H3
InChIKeyMEGFPHRMWARKLX-UHFFFAOYSA-N
MW495.51 g/mol
LogP2.44
Rot. Bonds6

About 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane

4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane (PubChem CID 153355531) has the molecular formula C21H28F3N9O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane.

Molecular Properties

Compound Name4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane
PubChem CID153355531
Molecular FormulaC21H28F3N9O2
Molecular Weight495.51 g/mol
Exact Mass495.23
IUPAC Name4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane
SMILESCCOC.Cc1nc(NCc2cnn(Cc3cc(C(F)(F)F)nn3C)c2)nc2c1NC(=O)CN2C
InChIInChI=1S/C18H20F3N9O.C3H8O/c1-10-15-16(28(2)9-14(31)25-15)26-17(24-10)22-5-11-6-23-30(7-11)8-12-4-13(18(19,20)21)27-29(12)3;1-3-4-2/h4,6-7H,5,8-9H2,1-3H3,(H,25,31)(H,22,24,26);3H2,1-2H3
InChIKeyMEGFPHRMWARKLX-UHFFFAOYSA-N
XLogP2.44
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane?
The IUPAC name of 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane (CID 153355531) is 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane.
What is the SMILES notation for 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane?
The canonical SMILES for 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane is CCOC.Cc1nc(NCc2cnn(Cc3cc(C(F)(F)F)nn3C)c2)nc2c1NC(=O)CN2C.
What is the InChIKey of 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane?
The InChIKey is MEGFPHRMWARKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N9O.C3H8O/c1-10-15-16(28(2)9-14(31)25-15)26-17(24-10)22-5-11-6-23-30(7-11)8-12-4-13(18(19,20)21)27-29(12)3;1-3-4-2/h4,6-7H,5,8-9H2,1-3H3,(H,25,31)(H,22,24,26);3H2,1-2H3.
What are the key properties of 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane?
4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane has a molecular weight of 495.51 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane is sourced from PubChem (CID 153355531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).