N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine

C15H13ClFN5O — CID 146575044

IUPACN-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
SMILESFc1nc(Nc2ccccc2Cl)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C15H13ClFN5O/c16-9-4-1-2-5-10(9)19-13-12-14(21-15(17)20-13)22(8-18-12)11-6-3-7-23-11/h1-2,4-5,8,11H,3,6-7H2,(H,19,20,21)
InChIKeyVDLCOIUCHIJAMN-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.67
Rot. Bonds3

About N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine

N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine (PubChem CID 146575044) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
PubChem CID146575044
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC NameN-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
SMILESFc1nc(Nc2ccccc2Cl)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C15H13ClFN5O/c16-9-4-1-2-5-10(9)19-13-12-14(21-15(17)20-13)22(8-18-12)11-6-3-7-23-11/h1-2,4-5,8,11H,3,6-7H2,(H,19,20,21)
InChIKeyVDLCOIUCHIJAMN-UHFFFAOYSA-N
XLogP3.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(2-chlorophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574966
N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146574673
N-(2-chloro-3-methoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
CID 146575313
2-bromo-N-(2,3-dichlorophenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574899
N-(2,3-dichlorophenyl)-2-iodo-9-(oxolan-2-yl)purin-6-amine
CID 146574757
2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
CID 146575258
4-N-[2-fluoro-9-(oxan-2-yl)purin-6-yl]benzene-1,4-diamine
CID 146574821
N-(2,3-dimethoxyphenyl)-2-fluoro-9-(oxepan-2-yl)purin-6-amine
CID 162440937
2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol
CID 146575052
4-[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]-3-methylphenol
CID 162440938
2-fluoro-9-(oxolan-2-yl)-N-(2,3,5-trimethoxyphenyl)purin-6-amine
CID 162441190
2-chloro-9-(oxan-2-yl)-N-(2,3,4-trifluorophenyl)purin-6-amine
CID 146574717

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine?
The IUPAC name of N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine (CID 146575044) is N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine?
The canonical SMILES for N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine is Fc1nc(Nc2ccccc2Cl)c2ncn(C3CCCO3)c2n1.
What is the InChIKey of N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine?
The InChIKey is VDLCOIUCHIJAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c16-9-4-1-2-5-10(9)19-13-12-14(21-15(17)20-13)22(8-18-12)11-6-3-7-23-11/h1-2,4-5,8,11H,3,6-7H2,(H,19,20,21).
What are the key properties of N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine?
N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine has a molecular weight of 333.75 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine is sourced from PubChem (CID 146575044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).