pteridine-6,7-diamine

C6H6N6 — CID 119097307

IUPACpteridine-6,7-diamine
SMILESNc1nc2cncnc2nc1N
InChIInChI=1S/C6H6N6/c7-4-5(8)12-6-3(11-4)1-9-2-10-6/h1-2H,(H2,7,11)(H2,8,9,10,12)
InChIKeyPCPHNMZJBOYGSR-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.42
Rot. Bonds

About pteridine-6,7-diamine

pteridine-6,7-diamine (PubChem CID 119097307) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is pteridine-6,7-diamine.

Molecular Properties

Compound Namepteridine-6,7-diamine
PubChem CID119097307
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namepteridine-6,7-diamine
SMILESNc1nc2cncnc2nc1N
InChIInChI=1S/C6H6N6/c7-4-5(8)12-6-3(11-4)1-9-2-10-6/h1-2H,(H2,7,11)(H2,8,9,10,12)
InChIKeyPCPHNMZJBOYGSR-UHFFFAOYSA-N
XLogP-0.42
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pteridine-6,7-diamine?
The IUPAC name of pteridine-6,7-diamine (CID 119097307) is pteridine-6,7-diamine.
What is the SMILES notation for pteridine-6,7-diamine?
The canonical SMILES for pteridine-6,7-diamine is Nc1nc2cncnc2nc1N.
What is the InChIKey of pteridine-6,7-diamine?
The InChIKey is PCPHNMZJBOYGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6/c7-4-5(8)12-6-3(11-4)1-9-2-10-6/h1-2H,(H2,7,11)(H2,8,9,10,12).
What are the key properties of pteridine-6,7-diamine?
pteridine-6,7-diamine has a molecular weight of 162.16 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pteridine-6,7-diamine is sourced from PubChem (CID 119097307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).