5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C23H25ClN6OS — CID 10174019

IUPAC5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCCC(c1nc2scnc2c(=O)n1Cc1ccccc1)N(CCN)Cc1ccc(Cl)nc1
InChIInChI=1S/C23H25ClN6OS/c1-2-18(29(11-10-25)13-17-8-9-19(24)26-12-17)21-28-22-20(27-15-32-22)23(31)30(21)14-16-6-4-3-5-7-16/h3-9,12,15,18H,2,10-11,13-14,25H2,1H3
InChIKeyHZYUXPIFILHURP-UHFFFAOYSA-N
MW469.01 g/mol
LogP3.86
Rot. Bonds9

About 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 10174019) has the molecular formula C23H25ClN6OS and a molecular weight of 469.01 g/mol. Its IUPAC name is 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID10174019
Molecular FormulaC23H25ClN6OS
Molecular Weight469.01 g/mol
Exact Mass468.15
IUPAC Name5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCCC(c1nc2scnc2c(=O)n1Cc1ccccc1)N(CCN)Cc1ccc(Cl)nc1
InChIInChI=1S/C23H25ClN6OS/c1-2-18(29(11-10-25)13-17-8-9-19(24)26-12-17)21-28-22-20(27-15-32-22)23(31)30(21)14-16-6-4-3-5-7-16/h3-9,12,15,18H,2,10-11,13-14,25H2,1H3
InChIKeyHZYUXPIFILHURP-UHFFFAOYSA-N
XLogP3.86
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one 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

5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10195168
2-[1-[2-aminoethyl-[(6-methoxy-3-pyridinyl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10310448
2-[1-[2-aminoethyl-[(2-methoxypyrimidin-5-yl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10195109
2-[1-[3-aminopropyl-[(4-bromophenyl)methyl]amino]propyl]-3-benzyl-7-chloroquinazolin-4-one
CID 59205671
6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10237948
3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10310462
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54756913
3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10238423
2-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl-(6-chloropyridine-3-carbonyl)amino]-N,N-dimethylethanamine oxide
CID 10029678
N-(2-aminoethyl)-N-[1-(3-benzyl-7-chloro-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 11755427
N-[(6-chloro-3-pyridinyl)methyl]-N-ethylbutan-2-amine
CID 43274506
3-benzyl-2-[1-[2-(methylamino)ethyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 10127484

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 10174019) is 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one is CCC(c1nc2scnc2c(=O)n1Cc1ccccc1)N(CCN)Cc1ccc(Cl)nc1.
What is the InChIKey of 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is HZYUXPIFILHURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6OS/c1-2-18(29(11-10-25)13-17-8-9-19(24)26-12-17)21-28-22-20(27-15-32-22)23(31)30(21)14-16-6-4-3-5-7-16/h3-9,12,15,18H,2,10-11,13-14,25H2,1H3.
What are the key properties of 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 469.01 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 10174019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).