2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine

C12H12ClN5S — CID 117084827

IUPAC2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine
SMILESCCCNc1nc(Cl)nc2c1ncn2-c1ccsc1
InChIInChI=1S/C12H12ClN5S/c1-2-4-14-10-9-11(17-12(13)16-10)18(7-15-9)8-3-5-19-6-8/h3,5-7H,2,4H2,1H3,(H,14,16,17)
InChIKeyOMGXECZZXDHEBD-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.35
Rot. Bonds4

About 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine

2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine (PubChem CID 117084827) has the molecular formula C12H12ClN5S and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine
PubChem CID117084827
Molecular FormulaC12H12ClN5S
Molecular Weight293.78 g/mol
Exact Mass293.05
IUPAC Name2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine
SMILESCCCNc1nc(Cl)nc2c1ncn2-c1ccsc1
InChIInChI=1S/C12H12ClN5S/c1-2-4-14-10-9-11(17-12(13)16-10)18(7-15-9)8-3-5-19-6-8/h3,5-7H,2,4H2,1H3,(H,14,16,17)
InChIKeyOMGXECZZXDHEBD-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-benzylpiperidin-4-yl)-6-N-propyl-9-thiophen-3-ylpurine-2,6-diamine
CID 117079496
2-[[2-(3-aminophenyl)-9-thiophen-3-ylpurin-6-yl]amino]ethanol
CID 117091353
N-benzyl-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117081803
4-[2-[[2-(4-methoxyphenyl)-9-thiophen-3-ylpurin-6-yl]amino]ethyl]phenol
CID 117084437
2-(3-aminophenyl)-N-[2-(4-methoxyphenyl)ethyl]-9-thiophen-3-ylpurin-6-amine
CID 117083110
2-chloro-N-propyl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117084564
9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080414
N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117089203
4-[2-[[2-(isoquinolin-1-ylamino)-9-thiophen-3-ylpurin-6-yl]amino]ethyl]phenol
CID 117086995
6-N-[2-(4-methoxyphenyl)ethyl]-9-thiophen-3-yl-2-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117088360
4-[2-[[2-[(2-methylpyrazol-3-yl)amino]-9-thiophen-3-ylpurin-6-yl]amino]ethyl]phenol
CID 117092176
6-N-(2-phenoxyethyl)-2-N-pyridin-2-yl-9-thiophen-3-ylpurine-2,6-diamine
CID 117093044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine?
The IUPAC name of 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine (CID 117084827) is 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine.
What is the SMILES notation for 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine?
The canonical SMILES for 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine is CCCNc1nc(Cl)nc2c1ncn2-c1ccsc1.
What is the InChIKey of 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine?
The InChIKey is OMGXECZZXDHEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5S/c1-2-4-14-10-9-11(17-12(13)16-10)18(7-15-9)8-3-5-19-6-8/h3,5-7H,2,4H2,1H3,(H,14,16,17).
What are the key properties of 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine?
2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine has a molecular weight of 293.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine is sourced from PubChem (CID 117084827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).