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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Related Compounds

4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 145900911
2-N-[1-[2-(1,4-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190592
2-N-[1-[2-(1,5-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190593
6-(3,5-Dimethylpyrazolyl)-3-imidazolylpyridazine
CID 2998404
5-[1-(2-Methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine
CID 49778452
5,6-Dimethyl-2-(1-methylimidazol-2-yl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 73945499
US11214565, Example D-49
CID 135374692
US11214565, Example D-27
CID 135375052
4-N-(2,2-difluoroethyl)-2-N-[5-methyl-1-(3-pyrazol-1-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943283
4-N-ethyl-2-N-[5-methyl-1-(3-pyrazol-1-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943532
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
CID 45190722

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).