4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine

C13H15FN4O — CID 172597684

IUPAC4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine
SMILESCc1cc2nc(F)nc(N3CCOCC3)c2c(C)n1
InChIInChI=1S/C13H15FN4O/c1-8-7-10-11(9(2)15-8)12(17-13(14)16-10)18-3-5-19-6-4-18/h7H,3-6H2,1-2H3
InChIKeyYTLXRSZQDYQAQW-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.62
Rot. Bonds1

About 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine

4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine (PubChem CID 172597684) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine
PubChem CID172597684
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine
SMILESCc1cc2nc(F)nc(N3CCOCC3)c2c(C)n1
InChIInChI=1S/C13H15FN4O/c1-8-7-10-11(9(2)15-8)12(17-13(14)16-10)18-3-5-19-6-4-18/h7H,3-6H2,1-2H3
InChIKeyYTLXRSZQDYQAQW-UHFFFAOYSA-N
XLogP1.62
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine (CID 172597684) is 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine is Cc1cc2nc(F)nc(N3CCOCC3)c2c(C)n1.
What is the InChIKey of 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is YTLXRSZQDYQAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-7-10-11(9(2)15-8)12(17-13(14)16-10)18-3-5-19-6-4-18/h7H,3-6H2,1-2H3.
What are the key properties of 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine?
4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 262.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 172597684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).