6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine

C19H20N8 — CID 117078939

IUPAC6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine
SMILESCC(C)n1c(Nc2ncccn2)nc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C19H20N8/c1-13(2)27-17-15(25-19(27)26-18-20-9-6-10-21-18)16(23-12-24-17)22-11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)(H,20,21,25,26)
InChIKeyBQKZLBXSUFDYAP-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.55
Rot. Bonds6

About 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine

6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine (PubChem CID 117078939) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine.

Molecular Properties

Compound Name6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine
PubChem CID117078939
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine
SMILESCC(C)n1c(Nc2ncccn2)nc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C19H20N8/c1-13(2)27-17-15(25-19(27)26-18-20-9-6-10-21-18)16(23-12-24-17)22-11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)(H,20,21,25,26)
InChIKeyBQKZLBXSUFDYAP-UHFFFAOYSA-N
XLogP3.55
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine with MolForge

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Related Compounds

8-N-phenyl-9-propan-2-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-6,8-diamine
CID 117093011
N-benzyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117080032
6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117091762
9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine
CID 117089787
N,8-diphenyl-9-propan-2-ylpurin-6-amine
CID 117092948
6-N-phenyl-9-propan-2-yl-8-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
CID 117093754
8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
CID 117092444
8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117092748
N-benzyl-9-[6-[(4-methylphenyl)methylamino]purin-9-yl]purin-6-amine
CID 66780721
N-[(4-aminophenyl)methyl]-3-benzyltriazolo[4,5-d]pyrimidin-7-amine
CID 10758894
ethyl 2-[6-(benzylamino)purin-9-yl]acetate
CID 172815770
N-benzyl-9-ethenylpurin-6-amine
CID 14035909

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine?
The IUPAC name of 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine (CID 117078939) is 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine.
What is the SMILES notation for 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine?
The canonical SMILES for 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine is CC(C)n1c(Nc2ncccn2)nc2c(NCc3ccccc3)ncnc21.
What is the InChIKey of 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine?
The InChIKey is BQKZLBXSUFDYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-13(2)27-17-15(25-19(27)26-18-20-9-6-10-21-18)16(23-12-24-17)22-11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)(H,20,21,25,26).
What are the key properties of 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine?
6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine has a molecular weight of 360.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine is sourced from PubChem (CID 117078939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).