5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine

C16H13N3O — CID 163500087

IUPAC5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine
SMILESC=C1C=CC(c2cnc(Oc3ccccc3)nc2)=CN1
InChIInChI=1S/C16H13N3O/c1-12-7-8-13(9-17-12)14-10-18-16(19-11-14)20-15-5-3-2-4-6-15/h2-11,17H,1H2
InChIKeyCWZIMXICGSLSSW-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.28
Rot. Bonds3

About 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine

5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine (PubChem CID 163500087) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine.

Molecular Properties

Compound Name5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine
PubChem CID163500087
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine
SMILESC=C1C=CC(c2cnc(Oc3ccccc3)nc2)=CN1
InChIInChI=1S/C16H13N3O/c1-12-7-8-13(9-17-12)14-10-18-16(19-11-14)20-15-5-3-2-4-6-15/h2-11,17H,1H2
InChIKeyCWZIMXICGSLSSW-UHFFFAOYSA-N
XLogP3.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine?
The IUPAC name of 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine (CID 163500087) is 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine.
What is the SMILES notation for 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine?
The canonical SMILES for 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine is C=C1C=CC(c2cnc(Oc3ccccc3)nc2)=CN1.
What is the InChIKey of 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine?
The InChIKey is CWZIMXICGSLSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-12-7-8-13(9-17-12)14-10-18-16(19-11-14)20-15-5-3-2-4-6-15/h2-11,17H,1H2.
What are the key properties of 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine?
5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine has a molecular weight of 263.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine is sourced from PubChem (CID 163500087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).