4-phenoxy-2-pyrimidin-2-ylpyrimidine

C14H10N4O — CID 152601729

IUPAC4-phenoxy-2-pyrimidin-2-ylpyrimidine
SMILESc1ccc(Oc2ccnc(-c3ncccn3)n2)cc1
InChIInChI=1S/C14H10N4O/c1-2-5-11(6-3-1)19-12-7-10-17-14(18-12)13-15-8-4-9-16-13/h1-10H
InChIKeyYXRGDSWXJYRQGQ-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.73
Rot. Bonds3

About 4-phenoxy-2-pyrimidin-2-ylpyrimidine

4-phenoxy-2-pyrimidin-2-ylpyrimidine (PubChem CID 152601729) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-phenoxy-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-phenoxy-2-pyrimidin-2-ylpyrimidine
PubChem CID152601729
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name4-phenoxy-2-pyrimidin-2-ylpyrimidine
SMILESc1ccc(Oc2ccnc(-c3ncccn3)n2)cc1
InChIInChI=1S/C14H10N4O/c1-2-5-11(6-3-1)19-12-7-10-17-14(18-12)13-15-8-4-9-16-13/h1-10H
InChIKeyYXRGDSWXJYRQGQ-UHFFFAOYSA-N
XLogP2.73
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-phenoxy-2-pyrimidin-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-phenoxypyrimidine
CID 54296073
2-methylsulfonyl-4-phenoxypyrimidine
CID 15405455
ethane;2-phenoxypyridine
CID 90835857
N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386484
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
1-(4-phenoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 122047372
2-phenoxypyridine-4-carboxylic acid
CID 21494431
2-ethyl-6-phenoxypyridine
CID 19828151
N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386476
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
2-bromo-6-phenoxypyridin-3-amine
CID 130297148

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-phenoxy-2-pyrimidin-2-ylpyrimidine (CID 152601729) is 4-phenoxy-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-phenoxy-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-phenoxy-2-pyrimidin-2-ylpyrimidine is c1ccc(Oc2ccnc(-c3ncccn3)n2)cc1.
What is the InChIKey of 4-phenoxy-2-pyrimidin-2-ylpyrimidine?
The InChIKey is YXRGDSWXJYRQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-2-5-11(6-3-1)19-12-7-10-17-14(18-12)13-15-8-4-9-16-13/h1-10H.
What are the key properties of 4-phenoxy-2-pyrimidin-2-ylpyrimidine?
4-phenoxy-2-pyrimidin-2-ylpyrimidine has a molecular weight of 250.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 152601729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).