9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine

C21H18N8S — CID 168994758

IUPAC9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine
SMILESCCn1cnc2c(NCc3ccc(-c4nccs4)nc3)nc(-c3cccnc3)nc21
InChIInChI=1S/C21H18N8S/c1-2-29-13-26-17-19(27-18(28-20(17)29)15-4-3-7-22-12-15)25-11-14-5-6-16(24-10-14)21-23-8-9-30-21/h3-10,12-13H,2,11H2,1H3,(H,25,27,28)
InChIKeyOSWMTSVZSLQABK-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.04
Rot. Bonds6

About 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine

9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine (PubChem CID 168994758) has the molecular formula C21H18N8S and a molecular weight of 414.50 g/mol. Its IUPAC name is 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine
PubChem CID168994758
Molecular FormulaC21H18N8S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine
SMILESCCn1cnc2c(NCc3ccc(-c4nccs4)nc3)nc(-c3cccnc3)nc21
InChIInChI=1S/C21H18N8S/c1-2-29-13-26-17-19(27-18(28-20(17)29)15-4-3-7-22-12-15)25-11-14-5-6-16(24-10-14)21-23-8-9-30-21/h3-10,12-13H,2,11H2,1H3,(H,25,27,28)
InChIKeyOSWMTSVZSLQABK-UHFFFAOYSA-N
XLogP4.04
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine with MolForge

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Related Compounds

7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
Ulecaciclib
CID 126535127
(3r)-1-[5-Chloro-6-Ethyl-2-(Pyrido[2,3-B]pyrazin-7-Ylsulfanyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl]pyrrolidin-3-Amine
CID 70699434
N-[trans-3-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)cyclobutyl]-1,3-Benzothiazol-2-Amine
CID 71680558
2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine?
The IUPAC name of 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine (CID 168994758) is 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine.
What is the SMILES notation for 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine?
The canonical SMILES for 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine is CCn1cnc2c(NCc3ccc(-c4nccs4)nc3)nc(-c3cccnc3)nc21.
What is the InChIKey of 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine?
The InChIKey is OSWMTSVZSLQABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8S/c1-2-29-13-26-17-19(27-18(28-20(17)29)15-4-3-7-22-12-15)25-11-14-5-6-16(24-10-14)21-23-8-9-30-21/h3-10,12-13H,2,11H2,1H3,(H,25,27,28).
What are the key properties of 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine?
9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine has a molecular weight of 414.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine is sourced from PubChem (CID 168994758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).