4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine

C17H21N7 — CID 19138513

IUPAC4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
SMILESCCN1CCN(c2ncnc(-n3cnc4ccccc43)c2N)CC1
InChIInChI=1S/C17H21N7/c1-2-22-7-9-23(10-8-22)16-15(18)17(20-11-19-16)24-12-21-13-5-3-4-6-14(13)24/h3-6,11-12H,2,7-10,18H2,1H3
InChIKeyVGEWLYAKGDCTDI-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.54
Rot. Bonds3

About 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine

4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19138513) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19138513
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
SMILESCCN1CCN(c2ncnc(-n3cnc4ccccc43)c2N)CC1
InChIInChI=1S/C17H21N7/c1-2-22-7-9-23(10-8-22)16-15(18)17(20-11-19-16)24-12-21-13-5-3-4-6-14(13)24/h3-6,11-12H,2,7-10,18H2,1H3
InChIKeyVGEWLYAKGDCTDI-UHFFFAOYSA-N
XLogP1.54
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine
CID 19139393
4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138691
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19138506
4-(4-ethylpiperazin-1-yl)-6-hydrazinylpyrimidin-5-amine
CID 19138427
6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149292
6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
CID 19136313
1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736
4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19152669
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608
4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22540923

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine (CID 19138513) is 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine is CCN1CCN(c2ncnc(-n3cnc4ccccc43)c2N)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is VGEWLYAKGDCTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-2-22-7-9-23(10-8-22)16-15(18)17(20-11-19-16)24-12-21-13-5-3-4-6-14(13)24/h3-6,11-12H,2,7-10,18H2,1H3.
What are the key properties of 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine?
4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 323.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19138513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).