2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine

C15H18N6 — CID 56871387

IUPAC2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine
SMILESCCc1nccc(-c2nccn2Cc2cnn(CC)c2)n1
InChIInChI=1S/C15H18N6/c1-3-14-16-6-5-13(19-14)15-17-7-8-20(15)10-12-9-18-21(4-2)11-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyWHLUMSMVBBBIOZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.17
Rot. Bonds5

About 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine

2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine (PubChem CID 56871387) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine
PubChem CID56871387
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine
SMILESCCc1nccc(-c2nccn2Cc2cnn(CC)c2)n1
InChIInChI=1S/C15H18N6/c1-3-14-16-6-5-13(19-14)15-17-7-8-20(15)10-12-9-18-21(4-2)11-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyWHLUMSMVBBBIOZ-UHFFFAOYSA-N
XLogP2.17
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine?
The IUPAC name of 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine (CID 56871387) is 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine is CCc1nccc(-c2nccn2Cc2cnn(CC)c2)n1.
What is the InChIKey of 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine?
The InChIKey is WHLUMSMVBBBIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-3-14-16-6-5-13(19-14)15-17-7-8-20(15)10-12-9-18-21(4-2)11-12/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine?
2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine has a molecular weight of 282.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]pyrimidine is sourced from PubChem (CID 56871387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).