4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one

C14H17N5O2 — CID 9353837

IUPAC4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C14H17N5O2/c1-9(20)2-3-10-4-6-11(7-5-10)21-8-12-17-13(15)19-14(16)18-12/h4-7H,2-3,8H2,1H3,(H4,15,16,17,18,19)
InChIKeyBRFRVAICAWHIID-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.14
Rot. Bonds6

About 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one

4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one (PubChem CID 9353837) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one
PubChem CID9353837
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C14H17N5O2/c1-9(20)2-3-10-4-6-11(7-5-10)21-8-12-17-13(15)19-14(16)18-12/h4-7H,2-3,8H2,1H3,(H4,15,16,17,18,19)
InChIKeyBRFRVAICAWHIID-UHFFFAOYSA-N
XLogP1.14
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one with MolForge

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Related Compounds

4-[4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-one
CID 28782356
4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
CID 103990814
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one
CID 105371732
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
4-[4-(5-chloropentoxy)phenyl]butan-2-one
CID 43168524
1-[4-(3-oxobutyl)phenoxy]pentan-2-one
CID 62042090
4-[4-(3-oxobutyl)phenoxy]butanehydrazide
CID 63577003
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
CID 107881269
4-fluoro-3-[[4-(3-oxobutyl)phenoxy]methyl]benzonitrile
CID 24707921
methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030
4-[4-(3-methylsulfanylpropoxy)phenyl]butan-2-one
CID 115650921

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one?
The IUPAC name of 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one (CID 9353837) is 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one is CC(=O)CCc1ccc(OCc2nc(N)nc(N)n2)cc1.
What is the InChIKey of 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one?
The InChIKey is BRFRVAICAWHIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9(20)2-3-10-4-6-11(7-5-10)21-8-12-17-13(15)19-14(16)18-12/h4-7H,2-3,8H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one?
4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one is sourced from PubChem (CID 9353837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).