9-(6-chloropurin-9-yl)purine-2,6-diamine

C10H7ClN10 — CID 57301033

IUPAC9-(6-chloropurin-9-yl)purine-2,6-diamine
SMILESNc1nc(N)c2ncn(-n3cnc4c(Cl)ncnc43)c2n1
InChIInChI=1S/C10H7ClN10/c11-6-4-8(15-1-14-6)20(2-16-4)21-3-17-5-7(12)18-10(13)19-9(5)21/h1-3H,(H4,12,13,18,19)
InChIKeyRHPBOHGMFIBRAX-UHFFFAOYSA-N
MW302.69 g/mol
LogP0.10
Rot. Bonds1

About 9-(6-chloropurin-9-yl)purine-2,6-diamine

9-(6-chloropurin-9-yl)purine-2,6-diamine (PubChem CID 57301033) has the molecular formula C10H7ClN10 and a molecular weight of 302.69 g/mol. Its IUPAC name is 9-(6-chloropurin-9-yl)purine-2,6-diamine.

Molecular Properties

Compound Name9-(6-chloropurin-9-yl)purine-2,6-diamine
PubChem CID57301033
Molecular FormulaC10H7ClN10
Molecular Weight302.69 g/mol
Exact Mass302.05
IUPAC Name9-(6-chloropurin-9-yl)purine-2,6-diamine
SMILESNc1nc(N)c2ncn(-n3cnc4c(Cl)ncnc43)c2n1
InChIInChI=1S/C10H7ClN10/c11-6-4-8(15-1-14-6)20(2-16-4)21-3-17-5-7(12)18-10(13)19-9(5)21/h1-3H,(H4,12,13,18,19)
InChIKeyRHPBOHGMFIBRAX-UHFFFAOYSA-N
XLogP0.10
TPSA139.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.69
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-(6-chloropurin-9-yl)purine-2,6-diamine?
The IUPAC name of 9-(6-chloropurin-9-yl)purine-2,6-diamine (CID 57301033) is 9-(6-chloropurin-9-yl)purine-2,6-diamine.
What is the SMILES notation for 9-(6-chloropurin-9-yl)purine-2,6-diamine?
The canonical SMILES for 9-(6-chloropurin-9-yl)purine-2,6-diamine is Nc1nc(N)c2ncn(-n3cnc4c(Cl)ncnc43)c2n1.
What is the InChIKey of 9-(6-chloropurin-9-yl)purine-2,6-diamine?
The InChIKey is RHPBOHGMFIBRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN10/c11-6-4-8(15-1-14-6)20(2-16-4)21-3-17-5-7(12)18-10(13)19-9(5)21/h1-3H,(H4,12,13,18,19).
What are the key properties of 9-(6-chloropurin-9-yl)purine-2,6-diamine?
9-(6-chloropurin-9-yl)purine-2,6-diamine has a molecular weight of 302.69 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-chloropurin-9-yl)purine-2,6-diamine is sourced from PubChem (CID 57301033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).