porphyrin-2,3-diamine

C20H14N6 — CID 66999460

IUPACporphyrin-2,3-diamine
SMILESNC1=C(N)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C20H14N6/c21-19-17-9-15-5-3-13(24-15)7-11-1-2-12(23-11)8-14-4-6-16(25-14)10-18(26-17)20(19)22/h1-10H,21-22H2/b11-7-,12-8-,13-7-,14-8-,15-9-,16-10-,17-9-,18-10-
InChIKeyHUQRBZTUJZCRIB-ITJRXXQTSA-N
MW338.37 g/mol
LogP2.15
Rot. Bonds

About porphyrin-2,3-diamine

porphyrin-2,3-diamine (PubChem CID 66999460) has the molecular formula C20H14N6 and a molecular weight of 338.37 g/mol. Its IUPAC name is porphyrin-2,3-diamine.

Molecular Properties

Compound Nameporphyrin-2,3-diamine
PubChem CID66999460
Molecular FormulaC20H14N6
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC Nameporphyrin-2,3-diamine
SMILESNC1=C(N)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C20H14N6/c21-19-17-9-15-5-3-13(24-15)7-11-1-2-12(23-11)8-14-4-6-16(25-14)10-18(26-17)20(19)22/h1-10H,21-22H2/b11-7-,12-8-,13-7-,14-8-,15-9-,16-10-,17-9-,18-10-
InChIKeyHUQRBZTUJZCRIB-ITJRXXQTSA-N
XLogP2.15
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of porphyrin-2,3-diamine?
The IUPAC name of porphyrin-2,3-diamine (CID 66999460) is porphyrin-2,3-diamine.
What is the SMILES notation for porphyrin-2,3-diamine?
The canonical SMILES for porphyrin-2,3-diamine is NC1=C(N)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.
What is the InChIKey of porphyrin-2,3-diamine?
The InChIKey is HUQRBZTUJZCRIB-ITJRXXQTSA-N. The full InChI is InChI=1S/C20H14N6/c21-19-17-9-15-5-3-13(24-15)7-11-1-2-12(23-11)8-14-4-6-16(25-14)10-18(26-17)20(19)22/h1-10H,21-22H2/b11-7-,12-8-,13-7-,14-8-,15-9-,16-10-,17-9-,18-10-.
What are the key properties of porphyrin-2,3-diamine?
porphyrin-2,3-diamine has a molecular weight of 338.37 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for porphyrin-2,3-diamine is sourced from PubChem (CID 66999460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).