7H-purine;pyrimidine

C9H8N6 — CID 18331659

IUPAC7H-purine;pyrimidine
SMILESc1cncnc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C4H4N2/c1-4-5(8-2-6-1)9-3-7-4;1-2-5-4-6-3-1/h1-3H,(H,6,7,8,9);1-4H
InChIKeyCZVCGJBESNRLEQ-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.83
Rot. Bonds

About 7H-purine;pyrimidine

7H-purine;pyrimidine (PubChem CID 18331659) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 7H-purine;pyrimidine.

Molecular Properties

Compound Name7H-purine;pyrimidine
PubChem CID18331659
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name7H-purine;pyrimidine
SMILESc1cncnc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C4H4N2/c1-4-5(8-2-6-1)9-3-7-4;1-2-5-4-6-3-1/h1-3H,(H,6,7,8,9);1-4H
InChIKeyCZVCGJBESNRLEQ-UHFFFAOYSA-N
XLogP0.83
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7H-purine;pyrimidine?
The IUPAC name of 7H-purine;pyrimidine (CID 18331659) is 7H-purine;pyrimidine.
What is the SMILES notation for 7H-purine;pyrimidine?
The canonical SMILES for 7H-purine;pyrimidine is c1cncnc1.c1ncc2[nH]cnc2n1.
What is the InChIKey of 7H-purine;pyrimidine?
The InChIKey is CZVCGJBESNRLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.C4H4N2/c1-4-5(8-2-6-1)9-3-7-4;1-2-5-4-6-3-1/h1-3H,(H,6,7,8,9);1-4H.
What are the key properties of 7H-purine;pyrimidine?
7H-purine;pyrimidine has a molecular weight of 200.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine;pyrimidine is sourced from PubChem (CID 18331659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).