pteridine

C6H4N4 — CID 1043

IUPACpteridine
SMILESc1cnc2ncncc2n1
InChIInChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H
InChIKeyCPNGPNLZQNNVQM-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.42
Rot. Bonds

About pteridine

pteridine (PubChem CID 1043) has the molecular formula C6H4N4 and a molecular weight of 132.13 g/mol. Its IUPAC name is pteridine.

Molecular Properties

Compound Namepteridine
PubChem CID1043
Molecular FormulaC6H4N4
Molecular Weight132.13 g/mol
Exact Mass132.04
IUPAC Namepteridine
SMILESc1cnc2ncncc2n1
InChIInChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H
InChIKeyCPNGPNLZQNNVQM-UHFFFAOYSA-N
XLogP0.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diaminopteridine
CID 348669
4-Pteridinamine
CID 81449
2,4-Pteridinediamine, 6-methyl-
CID 254916
7-Methylpteridine
CID 589615
s-Triazine, 2,4-diamino-6-(2-pyrazinyl)-
CID 146422
Pteridin-2-amine
CID 907652
2-Chloropteridine
CID 640537
6-(Aminomethyl)pteridine-2,4-diamine
CID 10511905
N~2~,N~2~-Dimethylpteridine-2,4-diamine
CID 230055
Pteridine, 2-(methylthio)-
CID 824621
2,4-Diamino-6-(bis-2-chloroethyl)aminomethylpteridine
CID 125009
2,4-Diamino-6-chloromethylpteridine hydrochloride
CID 157879

Frequently Asked Questions

What is the IUPAC name of pteridine?
The IUPAC name of pteridine (CID 1043) is pteridine.
What is the SMILES notation for pteridine?
The canonical SMILES for pteridine is c1cnc2ncncc2n1.
What is the InChIKey of pteridine?
The InChIKey is CPNGPNLZQNNVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H.
What are the key properties of pteridine?
pteridine has a molecular weight of 132.13 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pteridine is sourced from PubChem (CID 1043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).