2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol

C13H11N7O — CID 137150099

IUPAC2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol
SMILESNc1nccc(-c2ccc(O)c(-c3ccnc(N)n3)n2)n1
InChIInChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)
InChIKeyVFVAQKKPFOPZEA-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.87
Rot. Bonds2

About 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol

2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol (PubChem CID 137150099) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol
PubChem CID137150099
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol
SMILESNc1nccc(-c2ccc(O)c(-c3ccnc(N)n3)n2)n1
InChIInChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)
InChIKeyVFVAQKKPFOPZEA-UHFFFAOYSA-N
XLogP0.87
TPSA136.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol?
The IUPAC name of 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol (CID 137150099) is 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol.
What is the SMILES notation for 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol?
The canonical SMILES for 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol is Nc1nccc(-c2ccc(O)c(-c3ccnc(N)n3)n2)n1.
What is the InChIKey of 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol?
The InChIKey is VFVAQKKPFOPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20).
What are the key properties of 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol?
2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol has a molecular weight of 281.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol is sourced from PubChem (CID 137150099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).