porphyrin-2-amine

C20H13N5 — CID 66649713

IUPACporphyrin-2-amine
SMILESNC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C20H13N5/c21-19-10-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)11-20(19)25-18/h1-11H,21H2/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyDCKFGDRTGUKVAM-ZFGIDIDVSA-N
MW323.36 g/mol
LogP2.87
Rot. Bonds

About porphyrin-2-amine

porphyrin-2-amine (PubChem CID 66649713) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is porphyrin-2-amine.

Molecular Properties

Compound Nameporphyrin-2-amine
PubChem CID66649713
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Nameporphyrin-2-amine
SMILESNC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C20H13N5/c21-19-10-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)11-20(19)25-18/h1-11H,21H2/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-
InChIKeyDCKFGDRTGUKVAM-ZFGIDIDVSA-N
XLogP2.87
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of porphyrin-2-amine?
The IUPAC name of porphyrin-2-amine (CID 66649713) is porphyrin-2-amine.
What is the SMILES notation for porphyrin-2-amine?
The canonical SMILES for porphyrin-2-amine is NC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of porphyrin-2-amine?
The InChIKey is DCKFGDRTGUKVAM-ZFGIDIDVSA-N. The full InChI is InChI=1S/C20H13N5/c21-19-10-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)11-20(19)25-18/h1-11H,21H2/b12-7-,13-8-,14-7-,15-8-,16-9-,17-11-,18-9-,20-11-.
What are the key properties of porphyrin-2-amine?
porphyrin-2-amine has a molecular weight of 323.36 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for porphyrin-2-amine is sourced from PubChem (CID 66649713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).