4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine

C21H26N8O — CID 23536689

IUPAC4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(NCCN4CCOCC4)nc3)n2)c1
InChIInChI=1S/C21H26N8O/c1-16-3-2-4-17(13-16)26-20-24-15-25-21(28-20)27-18-5-6-19(23-14-18)22-7-8-29-9-11-30-12-10-29/h2-6,13-15H,7-12H2,1H3,(H,22,23)(H2,24,25,26,27,28)
InChIKeyAZRLTBNYHZKTHK-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.81
Rot. Bonds8

About 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine

4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 23536689) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID23536689
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(NCCN4CCOCC4)nc3)n2)c1
InChIInChI=1S/C21H26N8O/c1-16-3-2-4-17(13-16)26-20-24-15-25-21(28-20)27-18-5-6-19(23-14-18)22-7-8-29-9-11-30-12-10-29/h2-6,13-15H,7-12H2,1H3,(H,22,23)(H2,24,25,26,27,28)
InChIKeyAZRLTBNYHZKTHK-UHFFFAOYSA-N
XLogP2.81
TPSA100.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

5-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 23551658
2-(3-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025662
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
N-[3-[[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112887387
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
methyl N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]carbamate
CID 113010883
2-(2-methylphenyl)-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]acetamide
CID 113010878
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887443
N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridin-2-amine
CID 68563520
4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857717

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 23536689) is 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2ncnc(Nc3ccc(NCCN4CCOCC4)nc3)n2)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is AZRLTBNYHZKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-16-3-2-4-17(13-16)26-20-24-15-25-21(28-20)27-18-5-6-19(23-14-18)22-7-8-29-9-11-30-12-10-29/h2-6,13-15H,7-12H2,1H3,(H,22,23)(H2,24,25,26,27,28).
What are the key properties of 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine?
4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 406.49 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).