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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Related Compounds

pteridine;pteridine-2,4-diamine
CID 67748436
6-propan-2-ylpteridine
CID 59283430
pyrimido[4,5-d]pyrimidin-2-amine
CID 55290968
6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine
CID 12904755
6-(2,2-dimethylpropyl)pteridine
CID 118285087
aminophosphonous acid;pteridine
CID 67674646
2-pteridin-7-ylacetonitrile
CID 68740704
N,N-diethylpteridin-6-amine
CID 140624646
formaldehyde;bis(pteridine)
CID 174932722
4-aminopyrimidine-5-thiol
CID 91218144
6-(4-fluorophenyl)pteridine
CID 175699654
2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
CID 102403996

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).