[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine

C26H32N6O2S — CID 123637489

IUPAC[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine
SMILESC=CC=CC(=CCCOc1nccc(C(N)c2nc3cccnc3s2)n1)CN1CC(C)OC(C)C1
InChIInChI=1S/C26H32N6O2S/c1-4-5-8-20(17-32-15-18(2)34-19(3)16-32)9-7-14-33-26-29-13-11-21(31-26)23(27)25-30-22-10-6-12-28-24(22)35-25/h4-6,8-13,18-19,23H,1,7,14-17,27H2,2-3H3
InChIKeyHBLJCZJSCXLEBN-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.08
Rot. Bonds10

About [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine

[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine (PubChem CID 123637489) has the molecular formula C26H32N6O2S and a molecular weight of 492.65 g/mol. Its IUPAC name is [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine
PubChem CID123637489
Molecular FormulaC26H32N6O2S
Molecular Weight492.65 g/mol
Exact Mass492.23
IUPAC Name[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine
SMILESC=CC=CC(=CCCOc1nccc(C(N)c2nc3cccnc3s2)n1)CN1CC(C)OC(C)C1
InChIInChI=1S/C26H32N6O2S/c1-4-5-8-20(17-32-15-18(2)34-19(3)16-32)9-7-14-33-26-29-13-11-21(31-26)23(27)25-30-22-10-6-12-28-24(22)35-25/h4-6,8-13,18-19,23H,1,7,14-17,27H2,2-3H3
InChIKeyHBLJCZJSCXLEBN-UHFFFAOYSA-N
XLogP4.08
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N2-(1-Acryloyl-4-piperidinyl)-6-(4-morpholinylmethyl)-N4-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,4-pyrimidinediamine (3)
CID 56940983
1-[(3s)-3-{[4-(Morpholin-4-Ylmethyl)-6-([1,3]thiazolo[5,4-B]pyridin-2-Ylamino)pyrimidin-2-Yl]amino}pyrrolidin-1-Yl]prop-2-En-1-One
CID 56940984
N-[(3S)-1-Acryloyl-3-pyrrolidinyl]-4-{[cis-2,6-dimethyl-4-morpholinyl]methyl}-N'-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,6-pyridinediamine (9)
CID 56941864
N-{(3S)-1-[(2E)-2-Butenoyl]-3-pyrrolidinyl}-4-{[cis-2,6-dimethyl-4-morpholinyl]methyl}-N'-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,6-pyridinediamine (16)
CID 56942596
(trans)-4-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl)amino)cyclohexanol (1)
CID 87070336
1-((2-(imidazo[1,2-a]pyridin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 49833295
4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 126534280
N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535109
N-cyclopentyl-5-[2-[(5-morpholin-4-ylpyridin-2-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 126535118
N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135296341
(2R,6S)-2,6-dimethyl-4-(4-morpholin-4-yl-6-pyridin-2-ylthieno[3,2-d]pyrimidin-2-yl)morpholine
CID 137662030
(S)-1-(3-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)propan-1-one (15)
CID 56941722

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine?
The IUPAC name of [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine (CID 123637489) is [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine.
What is the SMILES notation for [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine?
The canonical SMILES for [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine is C=CC=CC(=CCCOc1nccc(C(N)c2nc3cccnc3s2)n1)CN1CC(C)OC(C)C1.
What is the InChIKey of [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine?
The InChIKey is HBLJCZJSCXLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2S/c1-4-5-8-20(17-32-15-18(2)34-19(3)16-32)9-7-14-33-26-29-13-11-21(31-26)23(27)25-30-22-10-6-12-28-24(22)35-25/h4-6,8-13,18-19,23H,1,7,14-17,27H2,2-3H3.
What are the key properties of [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine?
[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine has a molecular weight of 492.65 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]octa-3,5,7-trienoxy]pyrimidin-4-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 123637489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).