8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine

C15H16F2N4 — CID 177186227

IUPAC8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine
SMILESCc1cc2cnc(C)nc2c(N2CCC3(C2)CC3(F)F)n1
InChIInChI=1S/C15H16F2N4/c1-9-5-11-6-18-10(2)20-12(11)13(19-9)21-4-3-14(8-21)7-15(14,16)17/h5-6H,3-4,7-8H2,1-2H3
InChIKeyJKWLFTPVCXIPNJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.88
Rot. Bonds1

About 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine

8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine (PubChem CID 177186227) has the molecular formula C15H16F2N4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine
PubChem CID177186227
Molecular FormulaC15H16F2N4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine
SMILESCc1cc2cnc(C)nc2c(N2CCC3(C2)CC3(F)F)n1
InChIInChI=1S/C15H16F2N4/c1-9-5-11-6-18-10(2)20-12(11)13(19-9)21-4-3-14(8-21)7-15(14,16)17/h5-6H,3-4,7-8H2,1-2H3
InChIKeyJKWLFTPVCXIPNJ-UHFFFAOYSA-N
XLogP2.88
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine?
The IUPAC name of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine (CID 177186227) is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine is Cc1cc2cnc(C)nc2c(N2CCC3(C2)CC3(F)F)n1.
What is the InChIKey of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine?
The InChIKey is JKWLFTPVCXIPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4/c1-9-5-11-6-18-10(2)20-12(11)13(19-9)21-4-3-14(8-21)7-15(14,16)17/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine?
8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine has a molecular weight of 290.32 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 177186227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).