4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine

C11H8N4O — CID 116900490

IUPAC4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc3ncoc3c2)n1
InChIInChI=1S/C11H8N4O/c12-11-13-4-3-8(15-11)7-1-2-9-10(5-7)16-6-14-9/h1-6H,(H2,12,13,15)
InChIKeyDDCNTVFINZJSPF-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.87
Rot. Bonds1

About 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine

4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine (PubChem CID 116900490) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
PubChem CID116900490
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc3ncoc3c2)n1
InChIInChI=1S/C11H8N4O/c12-11-13-4-3-8(15-11)7-1-2-9-10(5-7)16-6-14-9/h1-6H,(H2,12,13,15)
InChIKeyDDCNTVFINZJSPF-UHFFFAOYSA-N
XLogP1.87
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine (CID 116900490) is 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine is Nc1nccc(-c2ccc3ncoc3c2)n1.
What is the InChIKey of 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine?
The InChIKey is DDCNTVFINZJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-11-13-4-3-8(15-11)7-1-2-9-10(5-7)16-6-14-9/h1-6H,(H2,12,13,15).
What are the key properties of 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine?
4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine has a molecular weight of 212.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 116900490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).