N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine

C15H15N5 — CID 115915775

IUPACN-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine
SMILESCCNc1cc(-n2ccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H15N5/c1-2-17-13-10-14(20-9-8-16-11-20)19-15(18-13)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19)
InChIKeyGPJBYGZLQSNQCZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.76
Rot. Bonds4

About N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine

N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine (PubChem CID 115915775) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine
PubChem CID115915775
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine
SMILESCCNc1cc(-n2ccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H15N5/c1-2-17-13-10-14(20-9-8-16-11-20)19-15(18-13)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19)
InChIKeyGPJBYGZLQSNQCZ-UHFFFAOYSA-N
XLogP2.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine (CID 115915775) is N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine is CCNc1cc(-n2ccnc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine?
The InChIKey is GPJBYGZLQSNQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-17-13-10-14(20-9-8-16-11-20)19-15(18-13)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine?
N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine has a molecular weight of 265.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-imidazol-1-yl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115915775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).