8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

C11H9F4N3O — CID 169184278

IUPAC8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
SMILESCc1nc(OCC(F)(F)F)c2cnc(C)c(F)c2n1
InChIInChI=1S/C11H9F4N3O/c1-5-8(12)9-7(3-16-5)10(18-6(2)17-9)19-4-11(13,14)15/h3H,4H2,1-2H3
InChIKeyIAMRKGZHKXDTBV-UHFFFAOYSA-N
MW275.20 g/mol
LogP2.72
Rot. Bonds2

About 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (PubChem CID 169184278) has the molecular formula C11H9F4N3O and a molecular weight of 275.20 g/mol. Its IUPAC name is 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
PubChem CID169184278
Molecular FormulaC11H9F4N3O
Molecular Weight275.20 g/mol
Exact Mass275.07
IUPAC Name8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
SMILESCc1nc(OCC(F)(F)F)c2cnc(C)c(F)c2n1
InChIInChI=1S/C11H9F4N3O/c1-5-8(12)9-7(3-16-5)10(18-6(2)17-9)19-4-11(13,14)15/h3H,4H2,1-2H3
InChIKeyIAMRKGZHKXDTBV-UHFFFAOYSA-N
XLogP2.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The IUPAC name of 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (CID 169184278) is 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is Cc1nc(OCC(F)(F)F)c2cnc(C)c(F)c2n1.
What is the InChIKey of 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The InChIKey is IAMRKGZHKXDTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O/c1-5-8(12)9-7(3-16-5)10(18-6(2)17-9)19-4-11(13,14)15/h3H,4H2,1-2H3.
What are the key properties of 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine has a molecular weight of 275.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,7-dimethyl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 169184278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).