2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine

C10H9ClN6O — CID 167746406

IUPAC2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine
SMILESCc1ncc(CNc2nc(Cl)nc3nc[nH]c23)o1
InChIInChI=1S/C10H9ClN6O/c1-5-12-2-6(18-5)3-13-8-7-9(15-4-14-7)17-10(11)16-8/h2,4H,3H2,1H3,(H2,13,14,15,16,17)
InChIKeyLUFREYFJPRQDDH-UHFFFAOYSA-N
MW264.68 g/mol
LogP1.91
Rot. Bonds3

About 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine

2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine (PubChem CID 167746406) has the molecular formula C10H9ClN6O and a molecular weight of 264.68 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine
PubChem CID167746406
Molecular FormulaC10H9ClN6O
Molecular Weight264.68 g/mol
Exact Mass264.05
IUPAC Name2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine
SMILESCc1ncc(CNc2nc(Cl)nc3nc[nH]c23)o1
InChIInChI=1S/C10H9ClN6O/c1-5-12-2-6(18-5)3-13-8-7-9(15-4-14-7)17-10(11)16-8/h2,4H,3H2,1H3,(H2,13,14,15,16,17)
InChIKeyLUFREYFJPRQDDH-UHFFFAOYSA-N
XLogP1.91
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine
CID 167981410
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-7H-purin-6-amine
CID 113442692
N-(1-benzofuran-2-ylmethyl)-2-chloro-7H-purin-6-amine
CID 134481136
2-chloro-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine
CID 167800154
2-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-7H-purin-6-amine
CID 167815074
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine
CID 167886145
2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
CID 154596531
2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine
CID 104697682
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 104697478
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
CID 104697509
2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl]-7H-purin-6-amine
CID 167945718

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine (CID 167746406) is 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine is Cc1ncc(CNc2nc(Cl)nc3nc[nH]c23)o1.
What is the InChIKey of 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine?
The InChIKey is LUFREYFJPRQDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6O/c1-5-12-2-6(18-5)3-13-8-7-9(15-4-14-7)17-10(11)16-8/h2,4H,3H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine?
2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine has a molecular weight of 264.68 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 167746406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).