7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine

C20H18F2N6O2 — CID 177195522

IUPAC7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)c(Oc2nc(-c3cn(C(F)F)cn3)cc3ncnc(N)c23)c1C
InChIInChI=1S/C20H18F2N6O2/c1-10-4-5-15(29-3)11(2)17(10)30-19-16-13(24-8-25-18(16)23)6-12(27-19)14-7-28(9-26-14)20(21)22/h4-9,20H,1-3H3,(H2,23,24,25)
InChIKeyMUUOYFBMFMCUDF-UHFFFAOYSA-N
MW412.40 g/mol
LogP4.28
Rot. Bonds5

About 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine

7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 177195522) has the molecular formula C20H18F2N6O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
PubChem CID177195522
Molecular FormulaC20H18F2N6O2
Molecular Weight412.40 g/mol
Exact Mass412.15
IUPAC Name7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)c(Oc2nc(-c3cn(C(F)F)cn3)cc3ncnc(N)c23)c1C
InChIInChI=1S/C20H18F2N6O2/c1-10-4-5-15(29-3)11(2)17(10)30-19-16-13(24-8-25-18(16)23)6-12(27-19)14-7-28(9-26-14)20(21)22/h4-9,20H,1-3H3,(H2,23,24,25)
InChIKeyMUUOYFBMFMCUDF-UHFFFAOYSA-N
XLogP4.28
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine (CID 177195522) is 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine is COc1ccc(C)c(Oc2nc(-c3cn(C(F)F)cn3)cc3ncnc(N)c23)c1C.
What is the InChIKey of 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is MUUOYFBMFMCUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O2/c1-10-4-5-15(29-3)11(2)17(10)30-19-16-13(24-8-25-18(16)23)6-12(27-19)14-7-28(9-26-14)20(21)22/h4-9,20H,1-3H3,(H2,23,24,25).
What are the key properties of 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 412.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 177195522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).