bis(7H-purine);pyrimidine

C14H12N10 — CID 67230522

IUPACbis(7H-purine);pyrimidine
SMILESc1cncnc1.c1ncc2[nH]cnc2n1.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C5H4N4.C4H4N2/c2*1-4-5(8-2-6-1)9-3-7-4;1-2-5-4-6-3-1/h2*1-3H,(H,6,7,8,9);1-4H
InChIKeyVCPXMKYSHVGGJL-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.18
Rot. Bonds

About bis(7H-purine);pyrimidine

bis(7H-purine);pyrimidine (PubChem CID 67230522) has the molecular formula C14H12N10 and a molecular weight of 320.32 g/mol. Its IUPAC name is bis(7H-purine);pyrimidine.

Molecular Properties

Compound Namebis(7H-purine);pyrimidine
PubChem CID67230522
Molecular FormulaC14H12N10
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Namebis(7H-purine);pyrimidine
SMILESc1cncnc1.c1ncc2[nH]cnc2n1.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C5H4N4.C4H4N2/c2*1-4-5(8-2-6-1)9-3-7-4;1-2-5-4-6-3-1/h2*1-3H,(H,6,7,8,9);1-4H
InChIKeyVCPXMKYSHVGGJL-UHFFFAOYSA-N
XLogP1.18
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(7H-purine);pyrimidine?
The IUPAC name of bis(7H-purine);pyrimidine (CID 67230522) is bis(7H-purine);pyrimidine.
What is the SMILES notation for bis(7H-purine);pyrimidine?
The canonical SMILES for bis(7H-purine);pyrimidine is c1cncnc1.c1ncc2[nH]cnc2n1.c1ncc2[nH]cnc2n1.
What is the InChIKey of bis(7H-purine);pyrimidine?
The InChIKey is VCPXMKYSHVGGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N4.C4H4N2/c2*1-4-5(8-2-6-1)9-3-7-4;1-2-5-4-6-3-1/h2*1-3H,(H,6,7,8,9);1-4H.
What are the key properties of bis(7H-purine);pyrimidine?
bis(7H-purine);pyrimidine has a molecular weight of 320.32 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7H-purine);pyrimidine is sourced from PubChem (CID 67230522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).