4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane

C16H23N5 — CID 91644181

IUPAC4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane
SMILESCCC1(C)CCCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C16H23N5/c1-3-16(2)5-4-8-20(9-6-16)14-11-15(19-12-18-14)21-10-7-17-13-21/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyRHFQCOSZIGGOBD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.07
Rot. Bonds3

About 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane

4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane (PubChem CID 91644181) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane.

Molecular Properties

Compound Name4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane
PubChem CID91644181
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane
SMILESCCC1(C)CCCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C16H23N5/c1-3-16(2)5-4-8-20(9-6-16)14-11-15(19-12-18-14)21-10-7-17-13-21/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyRHFQCOSZIGGOBD-UHFFFAOYSA-N
XLogP3.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Imidazol-1-yl-6-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10657936
Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-piperidinyl)-, monohydrochloride
CID 3071751
Pyrimidine, 2-(1H-imidazol-1-yl)-4-(1-piperidinyl)-, monohydrochloride
CID 3071759
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50956142
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 71691577
6-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}piperidin-1-yl)pyrimidin-4-amine
CID 72844111
6-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)-4-pyrimidinamine
CID 72873331
4-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 72915735
6-(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)pyrimidine-2,4-diamine
CID 72936414
8-[(1-Methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97397012
4-(1H-Imidazol-1-YL)-6-(piperidin-1-YL)pyrimidine
CID 10609459
4-(1H-imidazol-1-yl)-6-(4-methylpiperidino)pyrimidine
CID 53015214

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane?
The IUPAC name of 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane (CID 91644181) is 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane.
What is the SMILES notation for 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane?
The canonical SMILES for 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane is CCC1(C)CCCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane?
The InChIKey is RHFQCOSZIGGOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-16(2)5-4-8-20(9-6-16)14-11-15(19-12-18-14)21-10-7-17-13-21/h7,10-13H,3-6,8-9H2,1-2H3.
What are the key properties of 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane?
4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane has a molecular weight of 285.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane is sourced from PubChem (CID 91644181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).