4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine

C13H16N4O — CID 55250868

IUPAC4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H16N4O/c1-3-4-11-15-12(17-13(14)16-11)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyRYBWRVAUVPWBBO-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.08
Rot. Bonds4

About 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine

4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 55250868) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID55250868
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H16N4O/c1-3-4-11-15-12(17-13(14)16-11)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyRYBWRVAUVPWBBO-UHFFFAOYSA-N
XLogP2.08
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 106951384
4-(2-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867600
4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine
CID 63867602
4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 114331235
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine
CID 171108749
[4-(4-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474358
2-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
CID 162403536
4-cyclopentyl-6-(4-methoxyphenyl)-1,3,5-triazin-2-amine
CID 63867774
4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909346
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine (CID 55250868) is 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is RYBWRVAUVPWBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-4-11-15-12(17-13(14)16-11)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine?
4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55250868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).