2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine

C23H26F2N8O — CID 118348979

IUPAC2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCc1cc2cnc(Nc3ccc(-c4nncn4C)cc3OC(F)F)nc2c(NCC(C)(C)C)n1
InChIInChI=1S/C23H26F2N8O/c1-13-8-15-10-26-22(31-18(15)19(29-13)27-11-23(2,3)4)30-16-7-6-14(9-17(16)34-21(24)25)20-32-28-12-33(20)5/h6-10,12,21H,11H2,1-5H3,(H,27,29)(H,26,30,31)
InChIKeyGUVDIVRKUIQOLI-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.93
Rot. Bonds7

About 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine

2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 118348979) has the molecular formula C23H26F2N8O and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID118348979
Molecular FormulaC23H26F2N8O
Molecular Weight468.51 g/mol
Exact Mass468.22
IUPAC Name2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCc1cc2cnc(Nc3ccc(-c4nncn4C)cc3OC(F)F)nc2c(NCC(C)(C)C)n1
InChIInChI=1S/C23H26F2N8O/c1-13-8-15-10-26-22(31-18(15)19(29-13)27-11-23(2,3)4)30-16-7-6-14(9-17(16)34-21(24)25)20-32-28-12-33(20)5/h6-10,12,21H,11H2,1-5H3,(H,27,29)(H,26,30,31)
InChIKeyGUVDIVRKUIQOLI-UHFFFAOYSA-N
XLogP4.93
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine (CID 118348979) is 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine is Cc1cc2cnc(Nc3ccc(-c4nncn4C)cc3OC(F)F)nc2c(NCC(C)(C)C)n1.
What is the InChIKey of 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is GUVDIVRKUIQOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8O/c1-13-8-15-10-26-22(31-18(15)19(29-13)27-11-23(2,3)4)30-16-7-6-14(9-17(16)34-21(24)25)20-32-28-12-33(20)5/h6-10,12,21H,11H2,1-5H3,(H,27,29)(H,26,30,31).
What are the key properties of 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine?
2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 468.51 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 118348979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).