5-phenoxypyrimidine

C10H8N2O — CID 76850150

IUPAC5-phenoxypyrimidine
SMILESc1ccc(Oc2cncnc2)cc1
InChIInChI=1S/C10H8N2O/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h1-8H
InChIKeyVQAJURRYDSTTMS-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.27
Rot. Bonds2

About 5-phenoxypyrimidine

5-phenoxypyrimidine (PubChem CID 76850150) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 5-phenoxypyrimidine.

Molecular Properties

Compound Name5-phenoxypyrimidine
PubChem CID76850150
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name5-phenoxypyrimidine
SMILESc1ccc(Oc2cncnc2)cc1
InChIInChI=1S/C10H8N2O/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h1-8H
InChIKeyVQAJURRYDSTTMS-UHFFFAOYSA-N
XLogP2.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Phenoxyethyl)pyrimidin-2-amine
CID 4364907
BW 48-122
CID 72999
N,N-diethyl-6-phenoxypyrimidin-4-amine
CID 2055860
4-Methoxy-2-phenoxypyrimidine
CID 824706
5-Benzyloxypyrimidine-2,4-diamine
CID 516670
5-(2-Propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 44573562
2-Chloro-4-phenoxypyrimidine-5-carbonitrile
CID 145969756
2-(2,4-Difluorophenoxy)pyrimidine
CID 610284
2,4-Diphenoxypyrimidine
CID 3008436
2-Phenoxypyrimidine
CID 5324768
5-Fluoro-2-{4-[3-(4-fluoro-phenoxy)-propyl]-piperazin-1-yl}-pyrimidine
CID 20068655
5-(Benzyloxy)pyrimidine
CID 19745647

Frequently Asked Questions

What is the IUPAC name of 5-phenoxypyrimidine?
The IUPAC name of 5-phenoxypyrimidine (CID 76850150) is 5-phenoxypyrimidine.
What is the SMILES notation for 5-phenoxypyrimidine?
The canonical SMILES for 5-phenoxypyrimidine is c1ccc(Oc2cncnc2)cc1.
What is the InChIKey of 5-phenoxypyrimidine?
The InChIKey is VQAJURRYDSTTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h1-8H.
What are the key properties of 5-phenoxypyrimidine?
5-phenoxypyrimidine has a molecular weight of 172.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxypyrimidine is sourced from PubChem (CID 76850150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).