N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C18H24N6O3 — CID 1158979

IUPACN-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N6O3/c1-25-15-4-2-14(3-5-15)19-16-20-17(23-6-10-26-11-7-23)22-18(21-16)24-8-12-27-13-9-24/h2-5H,6-13H2,1H3,(H,19,20,21,22)
InChIKeyPSIQMQNWGNILFA-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.30
Rot. Bonds5

About N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1158979) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1158979
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N6O3/c1-25-15-4-2-14(3-5-15)19-16-20-17(23-6-10-26-11-7-23)22-18(21-16)24-8-12-27-13-9-24/h2-5H,6-13H2,1H3,(H,19,20,21,22)
InChIKeyPSIQMQNWGNILFA-UHFFFAOYSA-N
XLogP1.30
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 1158979) is N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is PSIQMQNWGNILFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-25-15-4-2-14(3-5-15)19-16-20-17(23-6-10-26-11-7-23)22-18(21-16)24-8-12-27-13-9-24/h2-5H,6-13H2,1H3,(H,19,20,21,22).
What are the key properties of N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1158979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).