4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine

C15H12N4O — CID 141385808

IUPAC4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cccnc2Oc2ccccc2)n1
InChIInChI=1S/C15H12N4O/c16-15-18-10-8-13(19-15)12-7-4-9-17-14(12)20-11-5-2-1-3-6-11/h1-10H,(H2,16,18,19)
InChIKeyDVOHBBQCQIJXKA-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.91
Rot. Bonds3

About 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine

4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine (PubChem CID 141385808) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine
PubChem CID141385808
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cccnc2Oc2ccccc2)n1
InChIInChI=1S/C15H12N4O/c16-15-18-10-8-13(19-15)12-7-4-9-17-14(12)20-11-5-2-1-3-6-11/h1-10H,(H2,16,18,19)
InChIKeyDVOHBBQCQIJXKA-UHFFFAOYSA-N
XLogP2.91
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine (CID 141385808) is 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine is Nc1nccc(-c2cccnc2Oc2ccccc2)n1.
What is the InChIKey of 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is DVOHBBQCQIJXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15-18-10-8-13(19-15)12-7-4-9-17-14(12)20-11-5-2-1-3-6-11/h1-10H,(H2,16,18,19).
What are the key properties of 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine?
4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 264.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxy-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 141385808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).