2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine

C9H7ClN6O — CID 167981410

IUPAC2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine
SMILESClc1nc(NCc2cnco2)c2[nH]cnc2n1
InChIInChI=1S/C9H7ClN6O/c10-9-15-7(6-8(16-9)14-3-13-6)12-2-5-1-11-4-17-5/h1,3-4H,2H2,(H2,12,13,14,15,16)
InChIKeyLJBSDLLLLHKNNW-UHFFFAOYSA-N
MW250.65 g/mol
LogP1.61
Rot. Bonds3

About 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine

2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine (PubChem CID 167981410) has the molecular formula C9H7ClN6O and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine
PubChem CID167981410
Molecular FormulaC9H7ClN6O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine
SMILESClc1nc(NCc2cnco2)c2[nH]cnc2n1
InChIInChI=1S/C9H7ClN6O/c10-9-15-7(6-8(16-9)14-3-13-6)12-2-5-1-11-4-17-5/h1,3-4H,2H2,(H2,12,13,14,15,16)
InChIKeyLJBSDLLLLHKNNW-UHFFFAOYSA-N
XLogP1.61
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-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

2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine
CID 167746406
2-chloro-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine
CID 167800154
N-(1-benzofuran-2-ylmethyl)-2-chloro-7H-purin-6-amine
CID 134481136
2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine
CID 167886145
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-7H-purin-6-amine
CID 113442692
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine
CID 104697682
2-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-7H-purin-6-amine
CID 167815074
2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl]-7H-purin-6-amine
CID 167945718
2-chloro-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-7H-purin-6-amine
CID 167987617
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
CID 104697509
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 104697478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine (CID 167981410) is 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine is Clc1nc(NCc2cnco2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine?
The InChIKey is LJBSDLLLLHKNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6O/c10-9-15-7(6-8(16-9)14-3-13-6)12-2-5-1-11-4-17-5/h1,3-4H,2H2,(H2,12,13,14,15,16).
What are the key properties of 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine?
2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine has a molecular weight of 250.65 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 167981410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).