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

C10H7ClF2N6O — CID 167886145

IUPAC2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine
SMILESFC(F)c1cc(CNc2nc(Cl)nc3nc[nH]c23)on1
InChIInChI=1S/C10H7ClF2N6O/c11-10-17-8(6-9(18-10)16-3-15-6)14-2-4-1-5(7(12)13)19-20-4/h1,3,7H,2H2,(H2,14,15,16,17,18)
InChIKeyYUCFMZYTKKYSJR-UHFFFAOYSA-N
MW300.66 g/mol
LogP2.54
Rot. Bonds4

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

2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine (PubChem CID 167886145) has the molecular formula C10H7ClF2N6O and a molecular weight of 300.66 g/mol. Its IUPAC name is 2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine
PubChem CID167886145
Molecular FormulaC10H7ClF2N6O
Molecular Weight300.66 g/mol
Exact Mass300.03
IUPAC Name2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine
SMILESFC(F)c1cc(CNc2nc(Cl)nc3nc[nH]c23)on1
InChIInChI=1S/C10H7ClF2N6O/c11-10-17-8(6-9(18-10)16-3-15-6)14-2-4-1-5(7(12)13)19-20-4/h1,3,7H,2H2,(H2,14,15,16,17,18)
InChIKeyYUCFMZYTKKYSJR-UHFFFAOYSA-N
XLogP2.54
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 52.54
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-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine
CID 167746406
N-(1-benzofuran-2-ylmethyl)-2-chloro-7H-purin-6-amine
CID 134481136
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-7H-purin-6-amine
CID 113442692
2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl]-7H-purin-6-amine
CID 167945718
2-chloro-N-[[4-(difluoromethyl)-1-methylpyrazol-3-yl]methyl]-7H-purin-6-amine
CID 167883406
2-chloro-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine
CID 167800154
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-chloro-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-7H-purin-6-amine
CID 167987617
2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine
CID 20609840
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine (CID 167886145) is 2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine is FC(F)c1cc(CNc2nc(Cl)nc3nc[nH]c23)on1.
What is the InChIKey of 2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine?
The InChIKey is YUCFMZYTKKYSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N6O/c11-10-17-8(6-9(18-10)16-3-15-6)14-2-4-1-5(7(12)13)19-20-4/h1,3,7H,2H2,(H2,14,15,16,17,18).
What are the key properties of 2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine?
2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine has a molecular weight of 300.66 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(difluoromethyl)-1,2-oxazol-5-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 167886145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).