2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol

C23H27N7O3 — CID 169494193

IUPAC2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol
SMILESCCn1cnc2c(NCc3ccc(-c4ccoc4)nc3)nc(N3CCOC[C@H]3CCO)nc21
InChIInChI=1S/C23H27N7O3/c1-2-29-15-26-20-21(25-12-16-3-4-19(24-11-16)17-6-9-32-13-17)27-23(28-22(20)29)30-7-10-33-14-18(30)5-8-31/h3-4,6,9,11,13,15,18,31H,2,5,7-8,10,12,14H2,1H3,(H,25,27,28)/t18-/m1/s1
InChIKeyUCBXGDNAAUVBDT-GOSISDBHSA-N
MW449.52 g/mol
LogP2.70
Rot. Bonds8

About 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol

2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol (PubChem CID 169494193) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol
PubChem CID169494193
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol
SMILESCCn1cnc2c(NCc3ccc(-c4ccoc4)nc3)nc(N3CCOC[C@H]3CCO)nc21
InChIInChI=1S/C23H27N7O3/c1-2-29-15-26-20-21(25-12-16-3-4-19(24-11-16)17-6-9-32-13-17)27-23(28-22(20)29)30-7-10-33-14-18(30)5-8-31/h3-4,6,9,11,13,15,18,31H,2,5,7-8,10,12,14H2,1H3,(H,25,27,28)/t18-/m1/s1
InChIKeyUCBXGDNAAUVBDT-GOSISDBHSA-N
XLogP2.70
TPSA114.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol 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

Roscovitine derivative 1
CID 73353575
4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine
CID 11565927
4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine
CID 11638790
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 11952559
2-N-(4-aminocyclohexyl)-6-N-[[4-(furan-2-yl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine
CID 20609846
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
4-{9-cyclopentyl-6-[(6-furan-2-yl-pyridin-3-ylmethyl)-amino]-9H-purine-2-ylamino}-cyclohexanol
CID 71817798
1-{9-cyclopentyl-6-[(6-furan-2-yl-pyridin-3-ylmethyl)-amino]-9H-purine-2-ylamino}-2-methyl-propan-2-ol
CID 71817799
N-(2-hydroxyethyl)-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792765
1-[9-cyclopentyl-6-(4-furan-2-yl-benzylamino)-9H-purine-2-ylamino]-2-methyl-propan-2-ol
CID 73350612
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-furan-3-yl-pyridin-3-ylmethyl)-9H-purine-2,6-diamine
CID 73350613

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol?
The IUPAC name of 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol (CID 169494193) is 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol?
The canonical SMILES for 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol is CCn1cnc2c(NCc3ccc(-c4ccoc4)nc3)nc(N3CCOC[C@H]3CCO)nc21.
What is the InChIKey of 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol?
The InChIKey is UCBXGDNAAUVBDT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-2-29-15-26-20-21(25-12-16-3-4-19(24-11-16)17-6-9-32-13-17)27-23(28-22(20)29)30-7-10-33-14-18(30)5-8-31/h3-4,6,9,11,13,15,18,31H,2,5,7-8,10,12,14H2,1H3,(H,25,27,28)/t18-/m1/s1.
What are the key properties of 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol?
2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol has a molecular weight of 449.52 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[9-ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]morpholin-3-yl]ethanol is sourced from PubChem (CID 169494193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).