N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine

C15H15N5O — CID 67222889

IUPACN-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCOc2ccccc2-c2cnc[nH]2)nc1
InChIInChI=1S/C15H15N5O/c1-2-5-14(12(4-1)13-10-16-11-20-13)21-9-8-19-15-17-6-3-7-18-15/h1-7,10-11H,8-9H2,(H,16,20)(H,17,18,19)
InChIKeyRQVWINYQICJWNW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.36
Rot. Bonds6

About N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine

N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine (PubChem CID 67222889) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
PubChem CID67222889
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCOc2ccccc2-c2cnc[nH]2)nc1
InChIInChI=1S/C15H15N5O/c1-2-5-14(12(4-1)13-10-16-11-20-13)21-9-8-19-15-17-6-3-7-18-15/h1-7,10-11H,8-9H2,(H,16,20)(H,17,18,19)
InChIKeyRQVWINYQICJWNW-UHFFFAOYSA-N
XLogP2.36
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
CID 58294140
5-[2-(2-thiophen-2-ylethoxy)phenyl]-1H-imidazole
CID 52933204
4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
CID 143884976
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
CID 143884984
5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
CID 147036147
1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole
CID 67222760
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-phenylpropane-2-thione
CID 159392368
4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
CID 70925852
5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole
CID 52933449
S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine
CID 143884941
4-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
CID 52934164
N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide
CID 58294111

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine (CID 67222889) is N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine is c1cnc(NCCOc2ccccc2-c2cnc[nH]2)nc1.
What is the InChIKey of N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine?
The InChIKey is RQVWINYQICJWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-5-14(12(4-1)13-10-16-11-20-13)21-9-8-19-15-17-6-3-7-18-15/h1-7,10-11H,8-9H2,(H,16,20)(H,17,18,19).
What are the key properties of N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine?
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine has a molecular weight of 281.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 67222889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).