5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine

C13H13N7O — CID 68786406

IUPAC5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine
SMILESNc1cc(-c2ccnc(N)c2N)c(-c2cnco2)nc1N
InChIInChI=1S/C13H13N7O/c14-8-3-7(6-1-2-19-13(17)10(6)15)11(20-12(8)16)9-4-18-5-21-9/h1-5H,14-15H2,(H2,16,20)(H2,17,19)
InChIKeyMQVDPAJDNDUWGO-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.13
Rot. Bonds2

About 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine

5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine (PubChem CID 68786406) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine
PubChem CID68786406
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine
SMILESNc1cc(-c2ccnc(N)c2N)c(-c2cnco2)nc1N
InChIInChI=1S/C13H13N7O/c14-8-3-7(6-1-2-19-13(17)10(6)15)11(20-12(8)16)9-4-18-5-21-9/h1-5H,14-15H2,(H2,16,20)(H2,17,19)
InChIKeyMQVDPAJDNDUWGO-UHFFFAOYSA-N
XLogP1.13
TPSA155.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine?
The IUPAC name of 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine (CID 68786406) is 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine is Nc1cc(-c2ccnc(N)c2N)c(-c2cnco2)nc1N.
What is the InChIKey of 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine?
The InChIKey is MQVDPAJDNDUWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c14-8-3-7(6-1-2-19-13(17)10(6)15)11(20-12(8)16)9-4-18-5-21-9/h1-5H,14-15H2,(H2,16,20)(H2,17,19).
What are the key properties of 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine?
5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine has a molecular weight of 283.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-diamino-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyridine-2,3-diamine is sourced from PubChem (CID 68786406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).