2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine

C17H14F2N8O — CID 118101987

IUPAC2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc2ncccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H14F2N8O/c1-9-22-13-12(3-2-8-21-13)27(9)17-25-15(20)24-16(26-17)23-10-4-6-11(7-5-10)28-14(18)19/h2-8,14H,1H3,(H3,20,23,24,25,26)
InChIKeyDAUUQPNMKWBETL-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.84
Rot. Bonds5

About 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine

2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 118101987) has the molecular formula C17H14F2N8O and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID118101987
Molecular FormulaC17H14F2N8O
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc2ncccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H14F2N8O/c1-9-22-13-12(3-2-8-21-13)27(9)17-25-15(20)24-16(26-17)23-10-4-6-11(7-5-10)28-14(18)19/h2-8,14H,1H3,(H3,20,23,24,25,26)
InChIKeyDAUUQPNMKWBETL-UHFFFAOYSA-N
XLogP2.84
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine (CID 118101987) is 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine is Cc1nc2ncccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DAUUQPNMKWBETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N8O/c1-9-22-13-12(3-2-8-21-13)27(9)17-25-15(20)24-16(26-17)23-10-4-6-11(7-5-10)28-14(18)19/h2-8,14H,1H3,(H3,20,23,24,25,26).
What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 384.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118101987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).