4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C26H28N6O3 — CID 23535911

IUPAC4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3cccnc3NCC(C)c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H28N6O3/c1-17(18-9-6-5-7-10-18)15-28-24-20(11-8-12-27-24)25-29-16-30-26(32-25)31-19-13-21(33-2)23(35-4)22(14-19)34-3/h5-14,16-17H,15H2,1-4H3,(H,27,28)(H,29,30,31,32)
InChIKeyJNBJBKRIMDYQHA-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.92
Rot. Bonds10

About 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23535911) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23535911
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3cccnc3NCC(C)c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H28N6O3/c1-17(18-9-6-5-7-10-18)15-28-24-20(11-8-12-27-24)25-29-16-30-26(32-25)31-19-13-21(33-2)23(35-4)22(14-19)34-3/h5-14,16-17H,15H2,1-4H3,(H,27,28)(H,29,30,31,32)
InChIKeyJNBJBKRIMDYQHA-UHFFFAOYSA-N
XLogP4.92
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535916
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
3-methoxy-N-(2-phenylpropyl)pyridin-2-amine
CID 113430232
4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536645
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine
CID 23536548
5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol
CID 23536133
N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 71812787
4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(4-morpholin-4-ylphenyl)-1,3,5-triazin-2-amine
CID 156730481
4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902093

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23535911) is 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(-c3cccnc3NCC(C)c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is JNBJBKRIMDYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-17(18-9-6-5-7-10-18)15-28-24-20(11-8-12-27-24)25-29-16-30-26(32-25)31-19-13-21(33-2)23(35-4)22(14-19)34-3/h5-14,16-17H,15H2,1-4H3,(H,27,28)(H,29,30,31,32).
What are the key properties of 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 472.55 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23535911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).