7H-purine

C5H4N4 — CID 1044

IUPAC7H-purine
SMILESc1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChIKeyKDCGOANMDULRCW-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.35
Rot. Bonds

About 7H-purine

7H-purine (PubChem CID 1044) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 7H-purine.

Molecular Properties

Compound Name7H-purine
PubChem CID1044
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name7H-purine
SMILESc1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChIKeyKDCGOANMDULRCW-UHFFFAOYSA-N
XLogP0.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Adenine
CID 190
2,6-Diaminopurine
CID 30976
2-Aminopurine
CID 9955
Isopentenyladenine
CID 92180
6-Hydroxyaminopurine
CID 21876
6-Dimethylaminopurine
CID 3134
N6-Methyladenine
CID 67955
2-Fluoroadenine
CID 12790
Adenine hydrochloride
CID 76219
N6-Hydroxy-9H-purine-2,6-diamine
CID 101513
2-Methyladenine
CID 15048
8-(Methylthio)purine
CID 95217

Frequently Asked Questions

What is the IUPAC name of 7H-purine?
The IUPAC name of 7H-purine (CID 1044) is 7H-purine.
What is the SMILES notation for 7H-purine?
The canonical SMILES for 7H-purine is c1ncc2[nH]cnc2n1.
What is the InChIKey of 7H-purine?
The InChIKey is KDCGOANMDULRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9).
What are the key properties of 7H-purine?
7H-purine has a molecular weight of 120.11 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine is sourced from PubChem (CID 1044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).