2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine

C18H17ClN6O — CID 20609838

IUPAC2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccco4)nc3)nc(Cl)nc21
InChIInChI=1S/C18H17ClN6O/c1-11(2)25-10-22-15-16(23-18(19)24-17(15)25)21-9-12-5-6-13(20-8-12)14-4-3-7-26-14/h3-8,10-11H,9H2,1-2H3,(H,21,23,24)
InChIKeyVTDUOCHVLWSVJG-UHFFFAOYSA-N
MW368.83 g/mol
LogP4.33
Rot. Bonds5

About 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine

2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine (PubChem CID 20609838) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine
PubChem CID20609838
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccco4)nc3)nc(Cl)nc21
InChIInChI=1S/C18H17ClN6O/c1-11(2)25-10-22-15-16(23-18(19)24-17(15)25)21-9-12-5-6-13(20-8-12)14-4-3-7-26-14/h3-8,10-11H,9H2,1-2H3,(H,21,23,24)
InChIKeyVTDUOCHVLWSVJG-UHFFFAOYSA-N
XLogP4.33
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine 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

Las-38096
CID 11716665
(E/Z)-2-Cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide
CID 122197584
Noberastine
CID 60531
(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
CID 134611727
2-Cyano-3-[5-(3-Cyclohexyl-3,5,8,10-Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-Pentaen-4-Yl)furan-2-Yl]-~{n},~{n}-Dimethyl-Prop-2-Enamide
CID 138108525
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
CID 44449695
6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
CID 44449696
Roscovitine derivative 1
CID 73353575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine?
The IUPAC name of 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine (CID 20609838) is 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine?
The canonical SMILES for 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine is CC(C)n1cnc2c(NCc3ccc(-c4ccco4)nc3)nc(Cl)nc21.
What is the InChIKey of 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine?
The InChIKey is VTDUOCHVLWSVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-11(2)25-10-22-15-16(23-18(19)24-17(15)25)21-9-12-5-6-13(20-8-12)14-4-3-7-26-14/h3-8,10-11H,9H2,1-2H3,(H,21,23,24).
What are the key properties of 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine?
2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine has a molecular weight of 368.83 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 20609838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).