5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine

C19H22F3N7OS — CID 143604311

IUPAC5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
SMILESNc1nc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCCCN3CCOCC3)nc2s1
InChIInChI=1S/C19H22F3N7OS/c20-19(21,22)12-2-4-13(5-3-12)25-15-14-16(31-17(23)26-14)28-18(27-15)24-6-1-7-29-8-10-30-11-9-29/h2-5H,1,6-11H2,(H2,23,26)(H2,24,25,27,28)
InChIKeyGLBAEIODXYPCQZ-UHFFFAOYSA-N
MW453.49 g/mol
LogP3.57
Rot. Bonds7

About 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine

5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine (PubChem CID 143604311) has the molecular formula C19H22F3N7OS and a molecular weight of 453.49 g/mol. Its IUPAC name is 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine.

Molecular Properties

Compound Name5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
PubChem CID143604311
Molecular FormulaC19H22F3N7OS
Molecular Weight453.49 g/mol
Exact Mass453.16
IUPAC Name5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
SMILESNc1nc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCCCN3CCOCC3)nc2s1
InChIInChI=1S/C19H22F3N7OS/c20-19(21,22)12-2-4-13(5-3-12)25-15-14-16(31-17(23)26-14)28-18(27-15)24-6-1-7-29-8-10-30-11-9-29/h2-5H,1,6-11H2,(H2,23,26)(H2,24,25,27,28)
InChIKeyGLBAEIODXYPCQZ-UHFFFAOYSA-N
XLogP3.57
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3-morpholin-4-ylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143972
5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 117092137
5-cyclohexyl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 87596619
1-methyl-4-N-(4-methylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795124
6-N-(3-morpholin-4-ylpropyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143899
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
5-[3,5-bis(trifluoromethyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 87621675
6-N-(2-morpholin-4-ylethyl)-9-thiophen-3-yl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117080037
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
CID 113423694
5-N-(cyclopropylmethyl)-2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 24883353
2-N-(2-morpholin-4-ylethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117080394
[4-[[2-(3-morpholin-4-ylpropylamino)-9-phenylpurin-6-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 24762175

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
The IUPAC name of 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine (CID 143604311) is 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine.
What is the SMILES notation for 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
The canonical SMILES for 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine is Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCCCN3CCOCC3)nc2s1.
What is the InChIKey of 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
The InChIKey is GLBAEIODXYPCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7OS/c20-19(21,22)12-2-4-13(5-3-12)25-15-14-16(31-17(23)26-14)28-18(27-15)24-6-1-7-29-8-10-30-11-9-29/h2-5H,1,6-11H2,(H2,23,26)(H2,24,25,27,28).
What are the key properties of 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine has a molecular weight of 453.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine is sourced from PubChem (CID 143604311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).