3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol

C17H17N5O — CID 4077767

IUPAC3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1cc(-c2ccccn2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H17N5O/c23-11-5-10-20-16-12-15(13-6-1-3-8-18-13)21-17(22-16)14-7-2-4-9-19-14/h1-4,6-9,12,23H,5,10-11H2,(H,20,21,22)
InChIKeyHKYXJDAEQGHDRJ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.39
Rot. Bonds6

About 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol

3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 4077767) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID4077767
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1cc(-c2ccccn2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H17N5O/c23-11-5-10-20-16-12-15(13-6-1-3-8-18-13)21-17(22-16)14-7-2-4-9-19-14/h1-4,6-9,12,23H,5,10-11H2,(H,20,21,22)
InChIKeyHKYXJDAEQGHDRJ-UHFFFAOYSA-N
XLogP2.39
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol (CID 4077767) is 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol is OCCCNc1cc(-c2ccccn2)nc(-c2ccccn2)n1.
What is the InChIKey of 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is HKYXJDAEQGHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-11-5-10-20-16-12-15(13-6-1-3-8-18-13)21-17(22-16)14-7-2-4-9-19-14/h1-4,6-9,12,23H,5,10-11H2,(H,20,21,22).
What are the key properties of 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol?
3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 307.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 4077767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).