6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine

C15H15BrN6O — CID 146574948

IUPAC6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
SMILESNc1nc(Nc2ccccc2Br)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C15H15BrN6O/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,(H3,17,19,20,21)
InChIKeyMWOGVKJNKDRLOH-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.22
Rot. Bonds3

About 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine

6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine (PubChem CID 146574948) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
PubChem CID146574948
Molecular FormulaC15H15BrN6O
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC Name6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
SMILESNc1nc(Nc2ccccc2Br)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C15H15BrN6O/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,(H3,17,19,20,21)
InChIKeyMWOGVKJNKDRLOH-UHFFFAOYSA-N
XLogP3.22
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(2-chlorophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574966
2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
CID 146575258
6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146575033
2-bromo-N-(2,3-dichlorophenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574899
N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146575044
N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146574673
3-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,3-diamine
CID 146575151
2-[[2-bromo-9-(oxan-2-yl)purin-6-yl]amino]benzene-1,4-diol
CID 146574908
N-(2-bromo-3-methoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575136
N-(2,3-dichlorophenyl)-2-iodo-9-(oxolan-2-yl)purin-6-amine
CID 146574757
2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574952
2-bromo-N-(4-chlorophenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574830

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine?
The IUPAC name of 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine (CID 146574948) is 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine?
The canonical SMILES for 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine is Nc1nc(Nc2ccccc2Br)c2ncn(C3CCCO3)c2n1.
What is the InChIKey of 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine?
The InChIKey is MWOGVKJNKDRLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O/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,(H3,17,19,20,21).
What are the key properties of 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine?
6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine has a molecular weight of 375.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine is sourced from PubChem (CID 146574948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).